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

Systemtic Name: N-[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(R)-(4-ethylphenyl)-(2-thienyl)methyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C18H18N3O2S+ MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)NC3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O2S/c1-2-13-7-9-14(10-8-13)17(16-6-4-12-24-16)20-18-15(21(22)23)5-3-11-19-18/h3-12,17H,2H2,1H3,(H,19,20)/p+1/t17-/m1/s1