6,7-dimethyl-4-(piperazin-4-ium-1-ylmethyl)chromen-2-one

Systemtic Name: 6,7-dimethyl-4-(piperazin-4-ium-1-ylmethyl)chromen-2-one Openeye Name: 6,7-dimethyl-4-(piperazin-4-ium-1-ylmethyl)chromen-2-one CAS Name: 6,7-dimethyl-4-(1-piperazin-4-iumylmethyl)-1-benzopyran-2-one IUPAC Name: 6,7-dimethyl-4-(piperazin-4-ium-1-ylmethyl)chromen-2-one Traditional Name: 6,7-dimethyl-4-(piperazin-4-ium-1-ylmethyl)coumarin Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CC[NH2+]CC3)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN3CC[NH2+]CC3)C

InChI

InChI=1S/C16H20N2O2/c1-11-7-14-13(10-18-5-3-17-4-6-18)9-16(19)20-15(14)8-12(11)2/h7-9,17H,3-6,10H2,1-2H3/p+1