8-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline

Systemtic Name: 8-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Openeye Name: 8-methoxy-2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]quinoline CAS Name: 8-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]quinoline IUPAC Name: 8-methoxy-2-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]quinoline Traditional Name: 8-methoxy-2-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methyl]quinoline Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=NC5=C(C=CC=C5OC)C=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=NC5=C(C=CC=C5OC)C=C4

InChI

InChI=1S/C27H34N4O/c1-21-7-3-4-10-25(21)31-17-15-30(16-18-31)24-9-6-14-29(20-24)19-23-13-12-22-8-5-11-26(32-2)27(22)28-23/h3-5,7-8,10-13,24H,6,9,14-20H2,1-2H3/p+1/t24-/m0/s1