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

Systemtic Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(1-oxidanylcyclohexyl)methyl]azanium Openeye Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium CAS Name: [2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl-[(1-hydroxycyclohexyl)methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl-[(1-hydroxycyclohexyl)methyl]ammonium Formula: C25H38N4O3+2 MolecularWeight: 442.59422

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CC4(CCCCC4)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CC4(CCCCC4)O

InChI

InChI=1S/C25H36N4O3/c1-3-32-24(30)29-13-11-28(12-14-29)23-21(16-20-15-19(2)7-8-22(20)27-23)17-26-18-25(31)9-5-4-6-10-25/h7-8,15-16,26,31H,3-6,9-14,17-18H2,1-2H3/p+2