3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one Openeye Name: 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one CAS Name: 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methyl-2-quinolin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methylquinolin-1-ium-2-yl)piperazin-1-yl]propan-1-one Traditional Name: 3-cyclohexyl-1-[4-(5,8-dimethoxy-4-methyl-quinolin-1-ium-2-yl)piperazino]propan-1-one Formula: C25H36N3O3+ MolecularWeight: 426.57164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)CCC4CCCCC4

Isomeric SMILES

CC1=CC(=[NH+]C2=C(C=CC(=C12)OC)OC)N3CCN(CC3)C(=O)CCC4CCCCC4

InChI

InChI=1S/C25H35N3O3/c1-18-17-22(26-25-21(31-3)11-10-20(30-2)24(18)25)27-13-15-28(16-14-27)23(29)12-9-19-7-5-4-6-8-19/h10-11,17,19H,4-9,12-16H2,1-3H3/p+1