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

Systemtic Name: 1-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(3S)-1-[(2-methoxyphenyl)methyl]-3-piperidyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(3S)-1-[(2-methoxyphenyl)methyl]-3-piperidinyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-[(3S)-1-o-anisyl-3-piperidyl]-4-(o-tolyl)piperazin-1-ium Formula: C24H34N3O+ MolecularWeight: 380.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)CC4=CC=CC=C4OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)CC4=CC=CC=C4OC

InChI

InChI=1S/C24H33N3O/c1-20-8-3-5-11-23(20)27-16-14-26(15-17-27)22-10-7-13-25(19-22)18-21-9-4-6-12-24(21)28-2/h3-6,8-9,11-12,22H,7,10,13-19H2,1-2H3/p+1/t22-/m0/s1