ethyl 1-[(4-acetamidophenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate CAS Name: 1-[(4-acetamidophenyl)methyl]-4-(cyclopropylmethyl)-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-acetamidophenyl)methyl]-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-acetamidobenzyl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H31N2O3+ MolecularWeight: 359.48244

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C)CC3CC3

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=CC=C(C=C2)NC(=O)C)CC3CC3

InChI

InChI=1S/C21H30N2O3/c1-3-26-20(25)21(14-17-4-5-17)10-12-23(13-11-21)15-18-6-8-19(9-7-18)22-16(2)24/h6-9,17H,3-5,10-15H2,1-2H3,(H,22,24)/p+1