7-methoxy-4-(1-methylpiperidin-3-yl)-3-phenylmethoxy-2H-benzimidazol-1-ium 1-oxide

Systemtic Name: 7-methoxy-4-(1-methylpiperidin-3-yl)-3-phenylmethoxy-2H-benzimidazol-1-ium 1-oxide Openeye Name: 3-benzyloxy-7-methoxy-4-(1-methyl-3-piperidyl)-2H-benzimidazol-1-ium 1-oxide CAS Name: 7-methoxy-4-(1-methyl-3-piperidinyl)-3-phenylmethoxy-2H-benzimidazol-1-ium 1-oxide IUPAC Name: 7-methoxy-4-(1-methylpiperidin-3-yl)-3-phenylmethoxy-2H-benzimidazol-1-ium 1-oxide Traditional Name: 3-benzoxy-7-methoxy-4-(1-methyl-3-piperidyl)-2H-benzimidazol-1-ium 1-oxide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)C2=C3C(=C(C=C2)OC)[N+](=O)CN3OCC4=CC=CC=C4

Isomeric SMILES

CN1CCCC(C1)C2=C3C(=C(C=C2)OC)[N+](=O)CN3OCC4=CC=CC=C4

InChI

InChI=1S/C21H26N3O3/c1-22-12-6-9-17(13-22)18-10-11-19(26-2)21-20(18)24(15-23(21)25)27-14-16-7-4-3-5-8-16/h3-5,7-8,10-11,17H,6,9,12-15H2,1-2H3/q+1