3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one

Systemtic Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylchromen-2-one Openeye Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one CAS Name: 3-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-1-benzopyran-2-one IUPAC Name: 3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]chromen-2-one Traditional Name: 3-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]coumarin Formula: C21H20ClN2O3+ MolecularWeight: 383.8481

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H19ClN2O3/c22-17-6-3-4-15(12-17)14-23-8-10-24(11-9-23)20(25)18-13-16-5-1-2-7-19(16)27-21(18)26/h1-7,12-13H,8-11,14H2/p+1