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

Systemtic Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Openeye Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]methanone CAS Name: (4-methoxy-3-methylphenyl)-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]methanone IUPAC Name: (4-methoxy-3-methylphenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]methanone Traditional Name: (4-methoxy-3-methyl-phenyl)-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]methanone Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-19-7-4-5-9-23(19)27-15-13-26(14-16-27)22-8-6-12-28(18-22)25(29)21-10-11-24(30-3)20(2)17-21/h4-5,7,9-11,17,22H,6,8,12-16,18H2,1-3H3/p+1/t22-/m0/s1