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

Systemtic Name: ethyl 4-[(3S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[1-(4-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[1-(4-methoxyphenyl)-4-piperidinyl]-3-piperidin-1-iumyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[1-(4-methoxyphenyl)piperidin-4-yl]piperidin-1-ium-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[1-(4-methoxyphenyl)-4-piperidyl]piperidin-1-ium-3-yl]piperazine-1-carboxylic acid ethyl ester Formula: C24H39N4O3+ MolecularWeight: 431.59146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H38N4O3/c1-3-31-24(29)27-17-15-26(16-18-27)22-5-4-12-28(19-22)21-10-13-25(14-11-21)20-6-8-23(30-2)9-7-20/h6-9,21-22H,3-5,10-19H2,1-2H3/p+1/t22-/m0/s1