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

Systemtic Name: [4-(3-chloranyl-2-oxidanylidene-azepan-1-yl)carbonylphenyl]methyl-triethyl-azanium Openeye Name: [4-(3-chloro-2-oxo-azepane-1-carbonyl)phenyl]methyl-triethyl-ammonium CAS Name: [4-[(3-chloro-2-oxo-1-azepanyl)-oxomethyl]phenyl]methyl-triethylammonium IUPAC Name: [4-(3-chloro-2-oxoazepane-1-carbonyl)phenyl]methyl-triethylazanium Traditional Name: [4-(3-chloro-2-keto-azepane-1-carbonyl)benzyl]-triethyl-ammonium Formula: C20H30ClN2O2+ MolecularWeight: 365.9174

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](CC)(CC)CC1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)Cl

Isomeric SMILES

CC[N+](CC)(CC)CC1=CC=C(C=C1)C(=O)N2CCCCC(C2=O)Cl

InChI

InChI=1S/C20H30ClN2O2/c1-4-23(5-2,6-3)15-16-10-12-17(13-11-16)19(24)22-14-8-7-9-18(21)20(22)25/h10-13,18H,4-9,14-15H2,1-3H3/q+1