3-[(3-ethoxycarbonylbenzo[h]quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[(3-ethoxycarbonylbenzo[h]quinolin-1-ium-4-yl)amino]propyl-dimethyl-azanium Openeye Name: 3-[(3-ethoxycarbonylbenzo[h]quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium CAS Name: 3-[(3-ethoxycarbonyl-4-benzo[h]quinolin-1-iumyl)amino]propyl-dimethylammonium IUPAC Name: 3-[(3-ethoxycarbonylbenzo[h]quinolin-1-ium-4-yl)amino]propyl-dimethylazanium Traditional Name: 3-[(3-carbethoxybenzo[h]quinolin-1-ium-4-yl)amino]propyl-dimethyl-ammonium Formula: C21H27N3O2+2 MolecularWeight: 353.45798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C[NH+]=C2C(=C1NCCC[NH+](C)C)C=CC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=C[NH+]=C2C(=C1NCCC[NH+](C)C)C=CC3=CC=CC=C32

InChI

InChI=1S/C21H25N3O2/c1-4-26-21(25)18-14-23-19-16-9-6-5-8-15(16)10-11-17(19)20(18)22-12-7-13-24(2)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3,(H,22,23)/p+2