cyclohexyl-[[2-[2-(2,4-dimethylquinolin-1-ium-3-yl)ethanoylamino]phenyl]methyl]-methyl-azanium

Systemtic Name: cyclohexyl-[[2-[2-(2,4-dimethylquinolin-1-ium-3-yl)ethanoylamino]phenyl]methyl]-methyl-azanium Openeye Name: cyclohexyl-[[2-[[2-(2,4-dimethylquinolin-1-ium-3-yl)acetyl]amino]phenyl]methyl]-methyl-ammonium CAS Name: cyclohexyl-[[2-[[2-(2,4-dimethyl-3-quinolin-1-iumyl)-1-oxoethyl]amino]phenyl]methyl]-methylammonium IUPAC Name: cyclohexyl-[[2-[[2-(2,4-dimethylquinolin-1-ium-3-yl)acetyl]amino]phenyl]methyl]-methylazanium Traditional Name: cyclohexyl-[2-[[2-(2,4-dimethylquinolin-1-ium-3-yl)acetyl]amino]benzyl]-methyl-ammonium Formula: C27H35N3O+2 MolecularWeight: 417.5863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[NH+]C2=CC=CC=C12)C)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

Isomeric SMILES

CC1=C(C(=[NH+]C2=CC=CC=C12)C)CC(=O)NC3=CC=CC=C3C[NH+](C)C4CCCCC4

InChI

InChI=1S/C27H33N3O/c1-19-23-14-8-10-16-26(23)28-20(2)24(19)17-27(31)29-25-15-9-7-11-21(25)18-30(3)22-12-5-4-6-13-22/h7-11,14-16,22H,4-6,12-13,17-18H2,1-3H3,(H,29,31)/p+2