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

Systemtic Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-amine Openeye Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-amine CAS Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolamine IUPAC Name: N-[(4-ethoxyphenyl)methyl]-1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-amine Traditional Name: (4-ethoxybenzyl)-[1-methyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]amine Formula: C22H29N4O2+ MolecularWeight: 381.49126

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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+]4CCOCC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CNC2=CC3=C(C=C2)N(C(=N3)C[NH+]4CCOCC4)C

InChI

InChI=1S/C22H28N4O2/c1-3-28-19-7-4-17(5-8-19)15-23-18-6-9-21-20(14-18)24-22(25(21)2)16-26-10-12-27-13-11-26/h4-9,14,23H,3,10-13,15-16H2,1-2H3/p+1