2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium

Systemtic Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium CAS Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)-1-pyrrolidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 2-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidino]-3-nitro-pyridin-1-ium Formula: C17H20N3O4+ MolecularWeight: 330.3584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2CCCN2C3=C(C=CC=[NH+]3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=CC(=C(C=C1)[C@H]2CCCN2C3=C(C=CC=[NH+]3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H19N3O4/c1-23-12-7-8-13(16(11-12)24-2)14-6-4-10-19(14)17-15(20(21)22)5-3-9-18-17/h3,5,7-9,11,14H,4,6,10H2,1-2H3/p+1/t14-/m1/s1