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

Systemtic Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one Openeye Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propyl-benzimidazol-2-one CAS Name: 1-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-3-propyl-2-benzimidazolone IUPAC Name: 1-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-3-propylbenzimidazol-2-one Traditional Name: 1-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-3-propyl-benzimidazol-2-one Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4OCC

InChI

InChI=1S/C23H30N4O2/c1-3-13-26-19-9-5-6-10-20(19)27(23(26)28)18-24-14-16-25(17-15-24)21-11-7-8-12-22(21)29-4-2/h5-12H,3-4,13-18H2,1-2H3/p+1