(4-methoxycarbonyl-1-methyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-azanium

Systemtic Name: (4-methoxycarbonyl-1-methyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-azanium Openeye Name: (4-methoxycarbonyl-1-methyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-ammonium CAS Name: (4-methoxycarbonyl-1-methyl-1-phenethyl-4-piperidin-1-iumyl)-methyl-(1-oxopropyl)-phenylammonium IUPAC Name: (4-methoxycarbonyl-1-methyl-1-phenethylpiperidin-1-ium-4-yl)-methyl-phenyl-propanoylazanium Traditional Name: (4-carbomethoxy-1-methyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propionyl-ammonium Formula: C26H36N2O3+2 MolecularWeight: 424.57564

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C)(C1=CC=CC=C1)C2(CC[N+](CC2)(C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)[N+](C)(C1=CC=CC=C1)C2(CC[N+](CC2)(C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C26H36N2O3/c1-5-24(29)28(3,23-14-10-7-11-15-23)26(25(30)31-4)17-20-27(2,21-18-26)19-16-22-12-8-6-9-13-22/h6-15H,5,16-21H2,1-4H3/q+2