1-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]benzimidazole

Systemtic Name: 1-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]benzimidazole Openeye Name: 1-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)-1-piperidyl]methyl]benzimidazole CAS Name: 1-methyl-2-[[(3S)-3-(4-phenyl-1-piperazin-1-iumyl)-1-piperidinyl]methyl]benzimidazole IUPAC Name: 1-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]methyl]benzimidazole Traditional Name: 1-methyl-2-[[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidino]methyl]benzimidazole Formula: C24H32N5+ MolecularWeight: 390.54438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CN3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CN3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C24H31N5/c1-26-23-12-6-5-11-22(23)25-24(26)19-27-13-7-10-21(18-27)29-16-14-28(15-17-29)20-8-3-2-4-9-20/h2-6,8-9,11-12,21H,7,10,13-19H2,1H3/p+1/t21-/m0/s1