[4-(3-chloranyl-2-oxidanylidene-azocan-1-yl)carbonylphenyl]methyl-triethyl-azanium

Systemtic Name: [4-(3-chloranyl-2-oxidanylidene-azocan-1-yl)carbonylphenyl]methyl-triethyl-azanium Openeye Name: [4-(3-chloro-2-oxo-azocane-1-carbonyl)phenyl]methyl-triethyl-ammonium CAS Name: [4-[(3-chloro-2-oxo-1-azocanyl)-oxomethyl]phenyl]methyl-triethylammonium IUPAC Name: [4-(3-chloro-2-oxoazocane-1-carbonyl)phenyl]methyl-triethylazanium Traditional Name: [4-(3-chloro-2-keto-azocane-1-carbonyl)benzyl]-triethyl-ammonium Formula: C21H32ClN2O2+ MolecularWeight: 379.94398

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=C(C=C1)C(=O)N2CCCCCC(C2=O)Cl

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=C(C=C1)C(=O)N2CCCCCC(C2=O)Cl

InChI

InChI=1S/C21H32ClN2O2/c1-4-24(5-2,6-3)16-17-11-13-18(14-12-17)20(25)23-15-9-7-8-10-19(22)21(23)26/h11-14,19H,4-10,15-16H2,1-3H3/q+1