[2-[[(4-butylphenyl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium

Systemtic Name: [2-[[(4-butylphenyl)carbonylamino]methyl]phenyl]methyl-dimethyl-azanium Openeye Name: [2-[[(4-butylbenzoyl)amino]methyl]phenyl]methyl-dimethyl-ammonium CAS Name: [2-[[[(4-butylphenyl)-oxomethyl]amino]methyl]phenyl]methyl-dimethylammonium IUPAC Name: [2-[[(4-butylbenzoyl)amino]methyl]phenyl]methyl-dimethylazanium Traditional Name: [2-[[(4-butylbenzoyl)amino]methyl]benzyl]-dimethyl-ammonium Formula: C21H29N2O+ MolecularWeight: 325.46776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+](C)C

InChI

InChI=1S/C21H28N2O/c1-4-5-8-17-11-13-18(14-12-17)21(24)22-15-19-9-6-7-10-20(19)16-23(2)3/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,22,24)/p+1