6-chloranyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-2-one

Systemtic Name: 6-chloranyl-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)carbonyl]chromen-2-one Openeye Name: 6-chloro-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-2-one CAS Name: 6-chloro-3-[(4-methyl-1,4-diazepan-4-ium-1-yl)-oxomethyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)chromen-2-one Traditional Name: 6-chloro-3-(4-methyl-1,4-diazepan-4-ium-1-carbonyl)coumarin Formula: C16H18ClN2O3+ MolecularWeight: 321.77872

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

Isomeric SMILES

C[NH+]1CCCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)Cl)OC2=O

InChI

InChI=1S/C16H17ClN2O3/c1-18-5-2-6-19(8-7-18)15(20)13-10-11-9-12(17)3-4-14(11)22-16(13)21/h3-4,9-10H,2,5-8H2,1H3/p+1