2-chloranyl-6-methoxy-4-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol

Systemtic Name: 2-chloranyl-6-methoxy-4-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Openeye Name: 2-chloro-6-methoxy-4-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methyl]phenol CAS Name: 2-chloro-6-methoxy-4-[[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methyl]phenol IUPAC Name: 2-chloro-6-methoxy-4-[[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methyl]phenol Traditional Name: 2-chloro-6-methoxy-4-[[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methyl]phenol Formula: C24H33ClN3O2+ MolecularWeight: 430.99072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC(=C(C(=C4)Cl)O)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC(=C(C(=C4)Cl)O)OC

InChI

InChI=1S/C24H32ClN3O2/c1-18-6-3-4-8-22(18)28-12-10-27(11-13-28)20-7-5-9-26(17-20)16-19-14-21(25)24(29)23(15-19)30-2/h3-4,6,8,14-15,20,29H,5,7,9-13,16-17H2,1-2H3/p+1/t20-/m0/s1