N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-pyridin-2-amine

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-pyridin-2-amine Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-nitro-pyridin-2-amine CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-nitro-2-pyridinamine IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-nitropyridin-2-amine Traditional Name: [(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-(3-nitro-2-pyridyl)amine Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC2=C(C=CC=N2)[N+](=O)[O-])[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC2=C(C=CC=N2)[N+](=O)[O-])[NH+]3CCCC3

InChI

InChI=1S/C18H22N4O3/c1-25-15-8-6-14(7-9-15)17(21-11-2-3-12-21)13-20-18-16(22(23)24)5-4-10-19-18/h4-10,17H,2-3,11-13H2,1H3,(H,19,20)/p+1/t17-/m0/s1