N-methyl-3-nitro-N-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-amine

Systemtic Name: N-methyl-3-nitro-N-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(4-isopropylphenyl)methyl]-N-methyl-3-nitro-pyridin-1-ium-2-amine CAS Name: N-methyl-3-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: N-methyl-3-nitro-N-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (4-isopropylbenzyl)-methyl-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(C)C2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O2/c1-12(2)14-8-6-13(7-9-14)11-18(3)16-15(19(20)21)5-4-10-17-16/h4-10,12H,11H2,1-3H3/p+1