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

Systemtic Name: ethyl 4-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(3S)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]piperazine-1-carboxylate CAS Name: 4-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(3S)-1-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate Traditional Name: 4-[(3S)-1-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]-3-piperidyl]piperazine-1-carboxylic acid ethyl ester Formula: C23H34N5O2+ MolecularWeight: 412.54836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2CCCN(C2)CC3=[N+](C=CN3)C4=CC=CC(=C4)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)[C@H]2CCCN(C2)CC3=[N+](C=CN3)C4=CC=CC(=C4)C

InChI

InChI=1S/C23H33N5O2/c1-3-30-23(29)27-14-12-26(13-15-27)21-8-5-10-25(17-21)18-22-24-9-11-28(22)20-7-4-6-19(2)16-20/h4,6-7,9,11,16,21H,3,5,8,10,12-15,17-18H2,1-2H3/p+1/t21-/m0/s1