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

Systemtic Name: 4-(cyclohexylmethyl)-1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-1,4-diazepan-1-ium-5-one Openeye Name: 4-(cyclohexylmethyl)-1-[(6-methyl-4-oxo-chromen-3-yl)methyl]-1,4-diazepan-1-ium-5-one CAS Name: 4-(cyclohexylmethyl)-1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-1,4-diazepan-1-ium-5-one IUPAC Name: 4-(cyclohexylmethyl)-1-[(6-methyl-4-oxochromen-3-yl)methyl]-1,4-diazepan-1-ium-5-one Traditional Name: 4-(cyclohexylmethyl)-1-[(4-keto-6-methyl-chromen-3-yl)methyl]-1,4-diazepan-1-ium-5-one Formula: C23H31N2O3+ MolecularWeight: 383.50384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(=O)N(CC3)CC4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC=C(C2=O)C[NH+]3CCC(=O)N(CC3)CC4CCCCC4

InChI

InChI=1S/C23H30N2O3/c1-17-7-8-21-20(13-17)23(27)19(16-28-21)15-24-10-9-22(26)25(12-11-24)14-18-5-3-2-4-6-18/h7-8,13,16,18H,2-6,9-12,14-15H2,1H3/p+1