methyl 1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate

Systemtic Name: methyl 1-phenethyl-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-phenethyl-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-phenethyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 1-phenethyl-4-(N-propionylanilino)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C24H31N2O3+ MolecularWeight: 395.51454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3/p+1