[4-[(6-chloranyl-8-methyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cycloheptyl-dimethyl-azanium

Systemtic Name: [4-[(6-chloranyl-8-methyl-2H-chromen-3-yl)carbonylamino]phenyl]methyl-cycloheptyl-dimethyl-azanium Openeye Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cycloheptyl-dimethyl-ammonium CAS Name: [4-[[(6-chloro-8-methyl-2H-1-benzopyran-3-yl)-oxomethyl]amino]phenyl]methyl-cycloheptyl-dimethylammonium IUPAC Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]phenyl]methyl-cycloheptyl-dimethylazanium Traditional Name: [4-[(6-chloro-8-methyl-2H-chromene-3-carbonyl)amino]benzyl]-cycloheptyl-dimethyl-ammonium Formula: C27H34ClN2O2+ MolecularWeight: 454.02406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)Cl)C=C(CO2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCCC4

Isomeric SMILES

CC1=C2C(=CC(=C1)Cl)C=C(CO2)C(=O)NC3=CC=C(C=C3)C[N+](C)(C)C4CCCCCC4

InChI

InChI=1S/C27H33ClN2O2/c1-19-14-23(28)16-21-15-22(18-32-26(19)21)27(31)29-24-12-10-20(11-13-24)17-30(2,3)25-8-6-4-5-7-9-25/h10-16,25H,4-9,17-18H2,1-3H3/p+1