1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one

Systemtic Name: 1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 1-[(6-methyl-4-oxo-chromen-3-yl)methyl]-4-(m-tolylmethyl)-1,4-diazepan-1-ium-5-one CAS Name: 1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 1-[(6-methyl-4-oxochromen-3-yl)methyl]-4-[(3-methylphenyl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 1-[(4-keto-6-methyl-chromen-3-yl)methyl]-4-(3-methylbenzyl)-1,4-diazepan-1-ium-5-one Formula: C24H27N2O3+ MolecularWeight: 391.48278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CCC2=O)CC3=COC4=C(C3=O)C=C(C=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CCC2=O)CC3=COC4=C(C3=O)C=C(C=C4)C

InChI

InChI=1S/C24H26N2O3/c1-17-4-3-5-19(12-17)14-26-11-10-25(9-8-23(26)27)15-20-16-29-22-7-6-18(2)13-21(22)24(20)28/h3-7,12-13,16H,8-11,14-15H2,1-2H3/p+1