N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(phenylmethyl)amino]pyridin-1-ium-3-carboxamide Openeye Name: 6-(benzylamino)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-[(phenylmethyl)amino]-3-pyridin-1-iumcarboxamide IUPAC Name: 6-(benzylamino)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 6-(benzylamino)-N-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C20H24N5O+ MolecularWeight: 350.43746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=NC=CN1C)C(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C20H23N5O/c1-3-25(15-19-21-11-12-24(19)2)20(26)17-9-10-18(23-14-17)22-13-16-7-5-4-6-8-16/h4-12,14H,3,13,15H2,1-2H3,(H,22,23)/p+1