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

Systemtic Name: methyl 4-[phenyl(propanoyl)amino]piperidin-1-ium-4-carboxylate Openeye Name: methyl 4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate CAS Name: 4-[N-(1-oxopropyl)anilino]-4-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 4-(N-propanoylanilino)piperidin-1-ium-4-carboxylate Traditional Name: 4-(N-propionylanilino)piperidin-1-ium-4-carboxylic acid methyl ester Formula: C16H23N2O3+ MolecularWeight: 291.36542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH2+]CC2)C(=O)OC

Isomeric SMILES

CCC(=O)N(C1=CC=CC=C1)C2(CC[NH2+]CC2)C(=O)OC

InChI

InChI=1S/C16H22N2O3/c1-3-14(19)18(13-7-5-4-6-8-13)16(15(20)21-2)9-11-17-12-10-16/h4-8,17H,3,9-12H2,1-2H3/p+1