ethyl 6-nitro-4-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-nitro-4-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylate Openeye Name: ethyl 6-nitro-4-pyrrolidin-1-yl-quinolin-1-ium-3-carboxylate CAS Name: 6-nitro-4-(1-pyrrolidinyl)-3-quinolin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-nitro-4-pyrrolidin-1-ylquinolin-1-ium-3-carboxylate Traditional Name: 6-nitro-4-pyrrolidino-quinolin-1-ium-3-carboxylic acid ethyl ester Formula: C16H18N3O4+ MolecularWeight: 316.33182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C=CC(=CC2=C1N3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-2-23-16(20)13-10-17-14-6-5-11(19(21)22)9-12(14)15(13)18-7-3-4-8-18/h5-6,9-10H,2-4,7-8H2,1H3/p+1