propyl 2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinoline-6-carboxylate

Systemtic Name: propyl 2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinoline-6-carboxylate Openeye Name: propyl 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate CAS Name: 2-methyl-4-oxo-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinoline-6-carboxylic acid propyl ester IUPAC Name: propyl 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-6-carboxylate Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-6-carboxylic acid propyl ester Formula: C26H33N3O3+2 MolecularWeight: 435.55852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O3/c1-3-15-32-26(31)21-9-10-24-22(16-21)25(30)23(19(2)27-24)18-29-13-11-28(12-14-29)17-20-7-5-4-6-8-20/h4-10,16H,3,11-15,17-18H2,1-2H3,(H,27,30)/p+2