(4-methoxycarbonyl-1,3-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-azanium

Systemtic Name: (4-methoxycarbonyl-1,3-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-azanium Openeye Name: (4-methoxycarbonyl-1,3-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propanoyl-ammonium CAS Name: (4-methoxycarbonyl-1,3-dimethyl-1-phenethyl-4-piperidin-1-iumyl)-methyl-(1-oxopropyl)-phenylammonium IUPAC Name: (4-methoxycarbonyl-1,3-dimethyl-1-phenethylpiperidin-1-ium-4-yl)-methyl-phenyl-propanoylazanium Traditional Name: (4-carbomethoxy-1,3-dimethyl-1-phenethyl-piperidin-1-ium-4-yl)-methyl-phenyl-propionyl-ammonium Formula: C27H38N2O3+2 MolecularWeight: 438.60222

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[N+](C)(C1=CC=CC=C1)C2(CC[N+](CC2C)(C)CCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)[N+](C)(C1=CC=CC=C1)C2(CC[N+](CC2C)(C)CCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C27H38N2O3/c1-6-25(30)29(4,24-15-11-8-12-16-24)27(26(31)32-5)18-20-28(3,21-22(27)2)19-17-23-13-9-7-10-14-23/h7-16,22H,6,17-21H2,1-5H3/q+2