ethyl 4-[ethanoyl(phenyl)amino]-1-(phenylmethyl)piperidin-1-ium-1-carboxylate

Systemtic Name: ethyl 4-[ethanoyl(phenyl)amino]-1-(phenylmethyl)piperidin-1-ium-1-carboxylate Openeye Name: ethyl 4-(N-acetylanilino)-1-benzyl-piperidin-1-ium-1-carboxylate CAS Name: 4-(N-acetylanilino)-1-(phenylmethyl)-1-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(N-acetylanilino)-1-benzylpiperidin-1-ium-1-carboxylate Traditional Name: 4-(N-acetylanilino)-1-benzyl-piperidin-1-ium-1-carboxylic acid ethyl ester Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)[N+]1(CCC(CC1)N(C2=CC=CC=C2)C(=O)C)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[N+]1(CCC(CC1)N(C2=CC=CC=C2)C(=O)C)CC3=CC=CC=C3

InChI

InChI=1S/C23H29N2O3/c1-3-28-23(27)25(18-20-10-6-4-7-11-20)16-14-22(15-17-25)24(19(2)26)21-12-8-5-9-13-21/h4-13,22H,3,14-18H2,1-2H3/q+1