[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-phenethyl-azanium

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl-phenethyl-azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl-phenethyl-ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl-phenethylammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl-phenethylazanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl-phenethyl-ammonium Formula: C26H33N4O2+ MolecularWeight: 433.56582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]CCC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2/c1-3-32-26(31)30-15-13-29(14-16-30)25-23(18-22-17-20(2)9-10-24(22)28-25)19-27-12-11-21-7-5-4-6-8-21/h4-10,17-18,27H,3,11-16,19H2,1-2H3/p+1