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

Systemtic Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3-methylphenyl)methylamino]pyridin-1-ium-3-carboxamide Openeye Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-(m-tolylmethylamino)pyridin-1-ium-3-carboxamide CAS Name: N-ethyl-N-[(1-methyl-2-imidazolyl)methyl]-6-[(3-methylphenyl)methylamino]-3-pyridin-1-iumcarboxamide IUPAC Name: N-ethyl-N-[(1-methylimidazol-2-yl)methyl]-6-[(3-methylphenyl)methylamino]pyridin-1-ium-3-carboxamide Traditional Name: N-ethyl-6-[(3-methylbenzyl)amino]-N-[(1-methylimidazol-2-yl)methyl]pyridin-1-ium-3-carboxamide Formula: C21H26N5O+ MolecularWeight: 364.46404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O/c1-4-26(15-20-22-10-11-25(20)3)21(27)18-8-9-19(24-14-18)23-13-17-7-5-6-16(2)12-17/h5-12,14H,4,13,15H2,1-3H3,(H,23,24)/p+1