1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one

Systemtic Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(2-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[[4-(2-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C21H26N4O2/c1-2-11-24-17-7-3-4-8-18(17)25(21(24)27)16-22-12-14-23(15-13-22)19-9-5-6-10-20(19)26/h3-10,26H,2,11-16H2,1H3/p+1