1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-piperidin-1-ium-1-yl-propan-1-one Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-piperidin-1-ium-1-yl-propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(1-piperidin-1-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-piperidin-1-ium-1-ylpropan-1-one Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-3-piperidin-1-ium-1-yl-propan-1-one Formula: C24H40N4O+2 MolecularWeight: 400.6006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CC[NH+]4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CC[NH+]4CCCCC4

InChI

InChI=1S/C24H38N4O/c1-21-8-3-4-10-23(21)27-18-16-26(17-19-27)22-9-7-14-28(20-22)24(29)11-15-25-12-5-2-6-13-25/h3-4,8,10,22H,2,5-7,9,11-20H2,1H3/p+2/t22-/m0/s1