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

Systemtic Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenoxy-propan-1-one Openeye Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]-3-phenoxy-propan-1-one CAS Name: 1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-3-phenoxy-1-propanone IUPAC Name: 1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-3-phenoxypropan-1-one Traditional Name: 1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]-3-phenoxy-propan-1-one 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)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCOC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O2/c1-21-8-5-6-12-24(21)27-17-15-26(16-18-27)22-9-7-14-28(20-22)25(29)13-19-30-23-10-3-2-4-11-23/h2-6,8,10-12,22H,7,9,13-20H2,1H3/p+1/t22-/m0/s1