1-[1-(4-azanyl-3-methyl-phenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[1-(4-azanyl-3-methyl-phenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]pyrrolidine-2-carboxamide Openeye Name: 1-[1-(4-amino-3-methyl-phenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]pyrrolidine-2-carboxamide CAS Name: 1-[1-(4-amino-3-methylphenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[1-(4-amino-3-methylphenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]pyrrolidine-2-carboxamide Traditional Name: 1-[1-(4-amino-3-methyl-phenyl)-2,3-dihydropyridin-1-ium-3-ylium-1-yl]pyrrolidine-2-carboxamide Formula: C17H22N4O+2 MolecularWeight: 298.38278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+]2(C[C+]=CC=C2)N3CCCC3C(=O)N)N

Isomeric SMILES

CC1=C(C=CC(=C1)[N+]2(C[C+]=CC=C2)N3CCCC3C(=O)N)N

InChI

InChI=1S/C17H21N4O/c1-13-12-14(7-8-15(13)18)21(10-3-2-4-11-21)20-9-5-6-16(20)17(19)22/h2-3,7-8,10,12,16H,5-6,9,11,18H2,1H3,(H-,19,22)/q+1/p+1