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

Systemtic Name: 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium Openeye Name: 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitro-pyridin-1-ium CAS Name: 2-[(2R)-2-(4-ethoxyphenyl)-1-pyrrolidinyl]-3-nitropyridin-1-ium IUPAC Name: 2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-3-nitropyridin-1-ium Traditional Name: 3-nitro-2-[(2R)-2-p-phenetylpyrrolidino]pyridin-1-ium Formula: C17H20N3O3+ MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C3=C(C=CC=[NH+]3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2CCCN2C3=C(C=CC=[NH+]3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O3/c1-2-23-14-9-7-13(8-10-14)15-6-4-12-19(15)17-16(20(21)22)5-3-11-18-17/h3,5,7-11,15H,2,4,6,12H2,1H3/p+1/t15-/m1/s1