2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinoline-8-carboxylate

Systemtic Name: 2-methyl-4-oxidanylidene-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinoline-8-carboxylate Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate CAS Name: 2-methyl-4-oxo-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinoline-8-carboxylate IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-8-carboxylate Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c1-16-20(22(27)18-8-5-9-19(23(28)29)21(18)24-16)15-26-12-10-25(11-13-26)14-17-6-3-2-4-7-17/h2-9H,10-15H2,1H3,(H,24,27)(H,28,29)/p+1