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

Systemtic Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-phenyl-methanone Openeye Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-phenyl-methanone CAS Name: [(3S)-3-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-phenylmethanone IUPAC Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-phenylmethanone Traditional Name: [(3S)-3-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-phenyl-methanone Formula: C23H30N3O2+ MolecularWeight: 380.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2/c1-28-22-12-6-5-11-21(22)25-16-14-24(15-17-25)20-10-7-13-26(18-20)23(27)19-8-3-2-4-9-19/h2-6,8-9,11-12,20H,7,10,13-18H2,1H3/p+1/t20-/m0/s1