N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine CAS Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(1-piperidin-1-iumylmethyl)-5-benzimidazolamine IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-amine Traditional Name: (4-ethoxybenzyl)-[1-methyl-2-(piperidin-1-ium-1-ylmethyl)benzimidazol-5-yl]amine Formula: C23H31N4O+ MolecularWeight: 379.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCCCC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C23H30N4O/c1-3-28-20-10-7-18(8-11-20)16-24-19-9-12-22-21(15-19)25-23(26(22)2)17-27-13-5-4-6-14-27/h7-12,15,24H,3-6,13-14,16-17H2,1-2H3/p+1