2-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one

Systemtic Name: 2-ethyl-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-3-oxidanyl-benzo[c]chromen-6-one Openeye Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzo[c]chromen-6-one CAS Name: 2-ethyl-3-hydroxy-4-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-6-benzo[c][1]benzopyranone IUPAC Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzo[c]chromen-6-one Traditional Name: 2-ethyl-3-hydroxy-4-[(4-methylpiperazine-1,4-diium-1-yl)methyl]benzo[c]chromen-6-one Formula: C21H26N2O3+2 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CC[NH+](CC4)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C3=CC=CC=C3C(=O)O2)C[NH+]4CC[NH+](CC4)C)O

InChI

InChI=1S/C21H24N2O3/c1-3-14-12-17-15-6-4-5-7-16(15)21(25)26-20(17)18(19(14)24)13-23-10-8-22(2)9-11-23/h4-7,12,24H,3,8-11,13H2,1-2H3/p+2