N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-yl-ethyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[(2R)-2-(1H-indol-3-yl)-2-thiophen-2-ylethyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [(2R)-2-(1H-indol-3-yl)-2-(2-thienyl)ethyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C19H17N4O2S+ MolecularWeight: 365.42888

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(CNC3=C(C=CC=[NH+]3)[N+](=O)[O-])C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)[C@H](CNC3=C(C=CC=[NH+]3)[N+](=O)[O-])C4=CC=CS4

InChI

InChI=1S/C19H16N4O2S/c24-23(25)17-7-3-9-20-19(17)22-12-15(18-8-4-10-26-18)14-11-21-16-6-2-1-5-13(14)16/h1-11,15,21H,12H2,(H,20,22)/p+1/t15-/m0/s1