3-[(4-carbamimidoylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid

Systemtic Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid Openeye Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-2-phenyl-quinoline-4-carboxylic acid CAS Name: 3-[(4-carbamimidoyl-1-piperazinyl)methyl]-2-phenyl-4-quinolinecarboxylic acid IUPAC Name: 3-[(4-carbamimidoylpiperazin-1-yl)methyl]-2-phenylquinoline-4-carboxylic acid Traditional Name: 3-[(4-amidinopiperazino)methyl]-2-phenyl-cinchoninic acid Formula: C22H23N5O2 MolecularWeight: 389.45032

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=N)N

Isomeric SMILES

C1CN(CCN1CC2=C(C3=CC=CC=C3N=C2C4=CC=CC=C4)C(=O)O)C(=N)N

InChI

InChI=1S/C22H23N5O2/c23-22(24)27-12-10-26(11-13-27)14-17-19(21(28)29)16-8-4-5-9-18(16)25-20(17)15-6-2-1-3-7-15/h1-9H,10-14H2,(H3,23,24)(H,28,29)