(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-[3-(2-oxidanylideneazepan-1-yl)propyl]azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-[3-(2-oxo-1-azepanyl)propyl]ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-[3-(2-oxoazepan-1-yl)propyl]azanium Traditional Name: 3-(2-ketoazepan-1-yl)propyl-[(2-keto-7,8-dimethyl-chromen-4-yl)methyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH2+]CCCN3CCCCCC3=O)C

InChI

InChI=1S/C21H28N2O3/c1-15-8-9-18-17(13-20(25)26-21(18)16(15)2)14-22-10-6-12-23-11-5-3-4-7-19(23)24/h8-9,13,22H,3-7,10-12,14H2,1-2H3/p+1