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

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-4-oxidanylidene-1H-quinoline-8-carboxylate Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-oxo-1H-quinoline-8-carboxylate Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-4-keto-2-methyl-1H-quinoline-8-carboxylate Formula: C29H30N3O3+ MolecularWeight: 468.5668

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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)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C(=CC=C2)C(=O)[O-])C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H29N3O3/c1-20-25(28(33)23-13-8-14-24(29(34)35)26(23)30-20)19-31-15-17-32(18-16-31)27(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,27H,15-19H2,1H3,(H,30,33)(H,34,35)/p+1