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

Systemtic Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methoxycarbonylphenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methoxycarbonylphenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 4-(cyclopropylmethyl)-1-[(4-methoxycarbonylphenyl)methyl]-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-(cyclopropylmethyl)-1-[(4-methoxycarbonylphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(4-carbomethoxybenzyl)-4-(cyclopropylmethyl)piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C21H30NO4+ MolecularWeight: 360.4672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO4/c1-3-26-20(24)21(14-16-4-5-16)10-12-22(13-11-21)15-17-6-8-18(9-7-17)19(23)25-2/h6-9,16H,3-5,10-15H2,1-2H3/p+1