6-chloranyl-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-2-one

Systemtic Name: 6-chloranyl-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]coumarin Formula: C20H21ClN3O2+ MolecularWeight: 370.85264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CC=CC=[NH+]4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CN3CCN(CC3)C4=CC=CC=[NH+]4)Cl

InChI

InChI=1S/C20H20ClN3O2/c1-14-10-18-16(12-17(14)21)15(11-20(25)26-18)13-23-6-8-24(9-7-23)19-4-2-3-5-22-19/h2-5,10-12H,6-9,13H2,1H3/p+1