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

Systemtic Name: 5-nitro-N-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-amine Openeye Name: N-[(4-isopropylphenyl)methyl]-5-nitro-pyridin-1-ium-2-amine CAS Name: 5-nitro-N-[(4-propan-2-ylphenyl)methyl]-2-pyridin-1-iumamine IUPAC Name: 5-nitro-N-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-amine Traditional Name: (4-isopropylbenzyl)-(5-nitropyridin-1-ium-2-yl)amine Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CNC2=[NH+]C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H17N3O2/c1-11(2)13-5-3-12(4-6-13)9-16-15-8-7-14(10-17-15)18(19)20/h3-8,10-11H,9H2,1-2H3,(H,16,17)/p+1