[3-carboxy-4-(16-methylheptadecanoylamino)-1-oxidanyl-1-oxidanylidene-hexan-3-yl]-trimethyl-azanium

Systemtic Name: [3-carboxy-4-(16-methylheptadecanoylamino)-1-oxidanyl-1-oxidanylidene-hexan-3-yl]-trimethyl-azanium Openeye Name: [1-carboxy-1-(carboxymethyl)-2-(16-methylheptadecanoylamino)butyl]-trimethyl-ammonium CAS Name: [3-carboxy-1-hydroxy-4-[(16-methyl-1-oxoheptadecyl)amino]-1-oxohexan-3-yl]-trimethylammonium IUPAC Name: [3-carboxy-1-hydroxy-4-(16-methylheptadecanoylamino)-1-oxohexan-3-yl]-trimethylazanium Traditional Name: [1-carboxy-1-(carboxymethyl)-2-(16-methylheptadecanoylamino)butyl]-trimethyl-ammonium Formula: C28H55N2O5+ MolecularWeight: 499.7467

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(CC(=O)O)(C(=O)O)[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCC(C(CC(=O)O)(C(=O)O)[N+](C)(C)C)NC(=O)CCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C28H54N2O5/c1-7-24(28(27(34)35,22-26(32)33)30(4,5)6)29-25(31)21-19-17-15-13-11-9-8-10-12-14-16-18-20-23(2)3/h23-24H,7-22H2,1-6H3,(H2-,29,31,32,33,34,35)/p+1