4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one

Systemtic Name: 4-[(4-ethanoyl-1,4-diazepan-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-chromen-2-one Openeye Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-chromen-2-one CAS Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-7-methyl-6-propan-2-yl-1-benzopyran-2-one IUPAC Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-7-methyl-6-propan-2-ylchromen-2-one Traditional Name: 4-[(4-acetyl-1,4-diazepan-1-ium-1-yl)methyl]-6-isopropyl-7-methyl-coumarin Formula: C21H29N2O3+ MolecularWeight: 357.46656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCN(CC3)C(=O)C)C(C)C

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCN(CC3)C(=O)C)C(C)C

InChI

InChI=1S/C21H28N2O3/c1-14(2)18-12-19-17(11-21(25)26-20(19)10-15(18)3)13-22-6-5-7-23(9-8-22)16(4)24/h10-12,14H,5-9,13H2,1-4H3/p+1