2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenylmethoxy-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenylmethoxy-1H-quinolin-4-one Openeye Name: 6-benzyloxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-1H-quinolin-4-one CAS Name: 2-methyl-3-[(4-methyl-1-piperazine-1,4-diiumyl)methyl]-6-phenylmethoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-6-phenylmethoxy-1H-quinolin-4-one Traditional Name: 6-benzoxy-2-methyl-3-[(4-methylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C23H29N3O2+2 MolecularWeight: 379.49526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)C

InChI

InChI=1S/C23H27N3O2/c1-17-21(15-26-12-10-25(2)11-13-26)23(27)20-14-19(8-9-22(20)24-17)28-16-18-6-4-3-5-7-18/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)/p+2