[6-(2-carboxy-1-methyl-pyrrolidin-1-ium-1-yl)-5-[dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)azaniumyl]-5-methyl-6-oxidanylidene-hexyl]-trimethyl-azanium

Systemtic Name: [6-(2-carboxy-1-methyl-pyrrolidin-1-ium-1-yl)-5-[dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)azaniumyl]-5-methyl-6-oxidanylidene-hexyl]-trimethyl-azanium Openeye Name: (1-carboxy-1-methyl-3-phenyl-propyl)-[1-(2-carboxy-1-methyl-pyrrolidin-1-ium-1-carbonyl)-1-methyl-5-(trimethylammonio)pentyl]-dimethyl-ammonium CAS Name: [6-(2-carboxy-1-methyl-1-pyrrolidin-1-iumyl)-5-[(1-hydroxy-2-methyl-1-oxo-4-phenylbutan-2-yl)-dimethylammonio]-5-methyl-6-oxohexyl]-trimethylammonium IUPAC Name: [6-(2-carboxy-1-methylpyrrolidin-1-ium-1-yl)-5-[(1-hydroxy-2-methyl-1-oxo-4-phenylbutan-2-yl)-dimethylazaniumyl]-5-methyl-6-oxohexyl]-trimethylazanium Traditional Name: (1-carboxy-1-methyl-3-phenyl-propyl)-[1-(2-carboxy-1-methyl-pyrrolidin-1-ium-1-carbonyl)-1-methyl-5-(trimethylammonio)pentyl]-dimethyl-ammonium Formula: C29H50N3O5+3 MolecularWeight: 520.7244

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC[N+](C)(C)C)(C(=O)[N+]1(CCCC1C(=O)O)C)[N+](C)(C)C(C)(CCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(CCCC[N+](C)(C)C)(C(=O)[N+]1(CCCC1C(=O)O)C)[N+](C)(C)C(C)(CCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C29H48N3O5/c1-28(19-12-13-21-30(3,4)5,26(35)32(8)22-14-17-24(32)25(33)34)31(6,7)29(2,27(36)37)20-18-23-15-10-9-11-16-23/h9-11,15-16,24H,12-14,17-22H2,1-8H3/q+1/p+2