N-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(R)-(4-methylphenyl)-thiophen-2-yl-methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: 3-nitro-N-[(R)-p-tolyl(2-thienyl)methyl]pyridin-1-ium-2-amine CAS Name: N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: (3-nitropyridin-1-ium-2-yl)-[(R)-p-tolyl(2-thienyl)methyl]amine Formula: C17H16N3O2S+ MolecularWeight: 326.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CS2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O2S/c1-12-6-8-13(9-7-12)16(15-5-3-11-23-15)19-17-14(20(21)22)4-2-10-18-17/h2-11,16H,1H3,(H,18,19)/p+1/t16-/m1/s1