1-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one

Systemtic Name: 1-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 3-hydroxy-1-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzo[c]chromen-6-one CAS Name: 3-hydroxy-1-methyl-4-[(4-methyl-1-piperazin-4-iumyl)methyl]-6-benzo[c][1]benzopyranone IUPAC Name: 3-hydroxy-1-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzo[c]chromen-6-one Traditional Name: 3-hydroxy-1-methyl-4-[(4-methylpiperazin-4-ium-1-yl)methyl]benzo[c]chromen-6-one Formula: C20H23N2O3+ MolecularWeight: 339.40822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C3=CC=CC=C3C(=O)O2)CN4CC[NH+](CC4)C)O

Isomeric SMILES

CC1=CC(=C(C2=C1C3=CC=CC=C3C(=O)O2)CN4CC[NH+](CC4)C)O

InChI

InChI=1S/C20H22N2O3/c1-13-11-17(23)16(12-22-9-7-21(2)8-10-22)19-18(13)14-5-3-4-6-15(14)20(24)25-19/h3-6,11,23H,7-10,12H2,1-2H3/p+1