N1'-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]cyclopropane-1,1-dicarboxamide

Systemtic Name: N1'-[[2-[methyl-(phenylmethyl)amino]pyridin-1-ium-3-yl]methyl]cyclopropane-1,1-dicarboxamide Openeye Name: N1'-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]cyclopropane-1,1-dicarboxamide CAS Name: N1'-[[2-[methyl-(phenylmethyl)amino]-3-pyridin-1-iumyl]methyl]cyclopropane-1,1-dicarboxamide IUPAC Name: 1-N'-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]cyclopropane-1,1-dicarboxamide Traditional Name: N'-[[2-[benzyl(methyl)amino]pyridin-1-ium-3-yl]methyl]cyclopropane-1,1-dicarboxamide Formula: C19H23N4O2+ MolecularWeight: 339.41152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3(CC3)C(=O)N

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=C(C=CC=[NH+]2)CNC(=O)C3(CC3)C(=O)N

InChI

InChI=1S/C19H22N4O2/c1-23(13-14-6-3-2-4-7-14)16-15(8-5-11-21-16)12-22-18(25)19(9-10-19)17(20)24/h2-8,11H,9-10,12-13H2,1H3,(H2,20,24)(H,22,25)/p+1