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

Systemtic Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Openeye Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-piperidyl]propan-1-one CAS Name: 3-(1-benzimidazolyl)-1-[(3S)-3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-1-propanone IUPAC Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]propan-1-one Traditional Name: 3-(benzimidazol-1-yl)-1-[(3S)-3-[4-(o-tolyl)piperazin-1-ium-1-yl]piperidino]propan-1-one Formula: C26H34N5O+ MolecularWeight: 432.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)C3CCCN(C3)C(=O)CCN4C=NC5=CC=CC=C54

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CCN4C=NC5=CC=CC=C54

InChI

InChI=1S/C26H33N5O/c1-21-7-2-4-10-24(21)29-17-15-28(16-18-29)22-8-6-13-30(19-22)26(32)12-14-31-20-27-23-9-3-5-11-25(23)31/h2-5,7,9-11,20,22H,6,8,12-19H2,1H3/p+1/t22-/m0/s1