2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-propoxy-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-propoxy-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-propoxy-1H-quinolin-4-one CAS Name: 2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-propoxy-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-propoxy-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-6-propoxy-4-quinolone Formula: C25H33N3O2+2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H31N3O2/c1-3-15-30-21-9-10-24-22(16-21)25(29)23(19(2)26-24)18-28-13-11-27(12-14-28)17-20-7-5-4-6-8-20/h4-10,16H,3,11-15,17-18H2,1-2H3,(H,26,29)/p+2