1,1-dimethyl-2-[[4-(2-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]-2-aza-1-azoniacyclotetradecane-3,9-dione

Systemtic Name: 1,1-dimethyl-2-[[4-(2-oxidanylideneazepan-1-yl)carbonylphenyl]methyl]-2-aza-1-azoniacyclotetradecane-3,9-dione Openeye Name: 1,1-dimethyl-2-[[4-(2-oxoazepane-1-carbonyl)phenyl]methyl]-2-aza-1-azoniacyclotetradecane-3,9-dione CAS Name: 1,1-dimethyl-2-[[4-[oxo-(2-oxo-1-azepanyl)methyl]phenyl]methyl]-2-aza-1-azoniacyclotetradecane-3,9-dione IUPAC Name: 1,1-dimethyl-2-[[4-(2-oxoazepane-1-carbonyl)phenyl]methyl]-2-aza-1-azoniacyclotetradecane-3,9-dione Traditional Name: 2-[4-(2-ketoazepane-1-carbonyl)benzyl]-1,1-dimethyl-2-aza-1-azoniacyclotetradecane-3,9-quinone Formula: C28H42N3O4+ MolecularWeight: 484.65078

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCCCC(=O)CCCCCC(=O)N1CC2=CC=C(C=C2)C(=O)N3CCCCCC3=O)C

Isomeric SMILES

C[N+]1(CCCCCC(=O)CCCCCC(=O)N1CC2=CC=C(C=C2)C(=O)N3CCCCCC3=O)C

InChI

InChI=1S/C28H42N3O4/c1-31(2)21-11-5-7-13-25(32)12-6-3-8-15-27(34)30(31)22-23-16-18-24(19-17-23)28(35)29-20-10-4-9-14-26(29)33/h16-19H,3-15,20-22H2,1-2H3/q+1