N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]propanamide

Systemtic Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]propanamide Openeye Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]propanamide CAS Name: N-[1-methyl-2-[(4-methyl-1-piperidin-1-iumyl)methyl]-5-benzimidazolyl]propanamide IUPAC Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]propanamide Traditional Name: N-[1-methyl-2-[(4-methylpiperidin-1-ium-1-yl)methyl]benzimidazol-5-yl]propionamide Formula: C18H27N4O+ MolecularWeight: 315.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCC(CC3)C)C

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N(C(=N2)C[NH+]3CCC(CC3)C)C

InChI

InChI=1S/C18H26N4O/c1-4-18(23)19-14-5-6-16-15(11-14)20-17(21(16)3)12-22-9-7-13(2)8-10-22/h5-6,11,13H,4,7-10,12H2,1-3H3,(H,19,23)/p+1