[2-[[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[3-(3-chloranyl-4-methyl-phenyl)propanoylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[3-(3-chloro-4-methyl-phenyl)propanoylamino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[3-(3-chloro-4-methylphenyl)-1-oxopropyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[3-(3-chloro-4-methylphenyl)propanoylamino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[3-(3-chloro-4-methyl-phenyl)propanoylamino]methyl]benzyl]-dimethyl-ammonium Formula: C20H26ClN2O+ MolecularWeight: 345.88624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)CCC(=O)NCC2=CC=CC=C2C[NH+](C)C)Cl

InChI

InChI=1S/C20H25ClN2O/c1-15-8-9-16(12-19(15)21)10-11-20(24)22-13-17-6-4-5-7-18(17)14-23(2)3/h4-9,12H,10-11,13-14H2,1-3H3,(H,22,24)/p+1