ethyl 4-[(3S)-1-[1-(2-methylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(3S)-1-[1-(2-methylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[1-(o-tolyl)-4-piperidyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[1-(2-methylphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[1-(2-methylphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[1-(o-tolyl)-4-piperidyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H39N4O2+ MolecularWeight: 415.59206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCC[NH+](C2)C3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCC[NH+](C2)C3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C24H38N4O2/c1-3-30-24(29)27-17-15-25(16-18-27)22-8-6-12-28(19-22)21-10-13-26(14-11-21)23-9-5-4-7-20(23)2/h4-5,7,9,21-22H,3,6,8,10-19H2,1-2H3/p+1/t22-/m0/s1