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

Systemtic Name: cycloheptyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-3-yl]methyl]azanium Openeye Name: cycloheptyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-3-quinolyl]methyl]ammonium CAS Name: cycloheptyl-[[2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolinyl]methyl]ammonium IUPAC Name: cycloheptyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-3-yl]methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-3-quinolyl]methyl-cycloheptyl-ammonium Formula: C25H37N4O2+ MolecularWeight: 425.58688

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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+]C4CCCCCC4

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=N2)C)C[NH2+]C4CCCCCC4

InChI

InChI=1S/C25H36N4O2/c1-3-31-25(30)29-14-12-28(13-15-29)24-21(18-26-22-8-6-4-5-7-9-22)17-20-16-19(2)10-11-23(20)27-24/h10-11,16-17,22,26H,3-9,12-15,18H2,1-2H3/p+1