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

Systemtic Name: methyl 1-(phenylmethyl)-4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: methyl 1-benzyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-1-(phenylmethyl)-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 1-benzyl-4-(N-propionylanilino)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH+](CC2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H28N2O3/c1-3-21(26)25(20-12-8-5-9-13-20)23(22(27)28-2)14-16-24(17-15-23)18-19-10-6-4-7-11-19/h4-13H,3,14-18H2,1-2H3/p+1