3-(2-methylbenzimidazol-1-yl)-1-[(3S)-3-(4-phenylpiperazin-1-ium-1-yl)piperidin-1-yl]propan-1-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCCC(C3)[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC2=CC=CC=C2N1CCC(=O)N3CCC[C@@H](C3)[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H33N5O/c1-21-27-24-11-5-6-12-25(24)31(21)15-13-26(32)30-14-7-10-23(20-30)29-18-16-28(17-19-29)22-8-3-2-4-9-22/h2-6,8-9,11-12,23H,7,10,13-20H2,1H3/p+1/t23-/m0/s1