3-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea

Systemtic Name: 3-cyclohexyl-1-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Openeye Name: 3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea CAS Name: 3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[2-(1-pyrrolidin-1-iumyl)ethyl]urea IUPAC Name: 3-cyclohexyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Traditional Name: 3-cyclohexyl-1-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]-1-(2-pyrrolidin-1-ium-1-ylethyl)urea Formula: C25H37N4O4+ MolecularWeight: 457.58568

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC[NH+]3CCCC3)C(=O)NC4CCCCC4)OC

InChI

InChI=1S/C25H36N4O4/c1-32-22-15-18-14-19(24(30)27-21(18)16-23(22)33-2)17-29(13-12-28-10-6-7-11-28)25(31)26-20-8-4-3-5-9-20/h14-16,20H,3-13,17H2,1-2H3,(H,26,31)(H,27,30)/p+1