(2-methyl-1-phenyl-benzimidazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (2-methyl-1-phenyl-benzimidazol-5-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone CAS Name: (2-methyl-1-phenyl-5-benzimidazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-1-phenylbenzimidazol-5-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(2-methyl-1-phenyl-benzimidazol-5-yl)methanone Formula: C26H27N4O+ MolecularWeight: 411.51878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N4O/c1-20-27-24-18-22(12-13-25(24)30(20)23-10-6-3-7-11-23)26(31)29-16-14-28(15-17-29)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3/p+1