(3-methyl-4-nitro-phenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone

Systemtic Name: (3-methyl-4-nitro-phenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Openeye Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone CAS Name: (3-methyl-4-nitrophenyl)-[2-(propan-2-ylamino)-1-pyridin-1-iumyl]methanone IUPAC Name: (3-methyl-4-nitrophenyl)-[2-(propan-2-ylamino)pyridin-1-ium-1-yl]methanone Traditional Name: [2-(isopropylamino)pyridin-1-ium-1-yl]-(3-methyl-4-nitro-phenyl)methanone Formula: C16H18N3O3+ MolecularWeight: 300.33242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)[N+]2=CC=CC=C2NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3/c1-11(2)17-15-6-4-5-9-18(15)16(20)13-7-8-14(19(21)22)12(3)10-13/h4-11H,1-3H3/p+1