6-chloranyl-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-methyl-1,4-diazepane-1,4-diium-1-yl)methyl]coumarin Formula: C17H23ClN2O2+2 MolecularWeight: 322.82972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21ClN2O2/c1-12-8-16-14(10-15(12)18)13(9-17(21)22-16)11-20-5-3-4-19(2)6-7-20/h8-10H,3-7,11H2,1-2H3/p+2