1-(2-methoxyethyl)-2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]benzimidazol-1-ium-1-carboximidamide

Systemtic Name: 1-(2-methoxyethyl)-2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]benzimidazol-1-ium-1-carboximidamide Openeye Name: 1-(2-methoxyethyl)-2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]benzimidazol-1-ium-1-carboxamidine CAS Name: 1-(2-methoxyethyl)-2-[[4-(3-pyrrolidinyloxy)phenoxy]methyl]-1-benzimidazol-1-iumcarboximidamide IUPAC Name: 1-(2-methoxyethyl)-2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]benzimidazol-1-ium-1-carboximidamide Traditional Name: 1-(2-methoxyethyl)-2-[(4-pyrrolidin-3-yloxyphenoxy)methyl]benzimidazol-1-ium-1-carboxamidine Formula: C22H28N5O3+ MolecularWeight: 410.48942

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Descriptors Computed from Structure

Canonical SMILES:

COCC[N+]1(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)OC4CCNC4)C(=N)N

Isomeric SMILES

COCC[N+]1(C2=CC=CC=C2N=C1COC3=CC=C(C=C3)OC4CCNC4)C(=N)N

InChI

InChI=1S/C22H28N5O3/c1-28-13-12-27(22(23)24)20-5-3-2-4-19(20)26-21(27)15-29-16-6-8-17(9-7-16)30-18-10-11-25-14-18/h2-9,18,25H,10-15H2,1H3,(H3,23,24)/q+1