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

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-morpholin-4-ium-4-yl-propan-1-one Openeye Name: 3-morpholin-4-ium-4-yl-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-(4-morpholin-4-iumyl)-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-morpholin-4-ium-4-ylpropan-1-one Traditional Name: 3-morpholin-4-ium-4-yl-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C23H38N4O2+2 MolecularWeight: 402.57342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CC[NH+]4CCOCC4

InChI

InChI=1S/C23H36N4O2/c1-20-5-2-3-7-22(20)26-13-11-25(12-14-26)21-6-4-9-27(19-21)23(28)8-10-24-15-17-29-18-16-24/h2-3,5,7,21H,4,6,8-19H2,1H3/p+2/t21-/m0/s1