2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-3-oxo-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxopiperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)-3-keto-piperazino]-1-methyl-piperidin-1-ium-1-yl]acetate Formula: C19H27N5O4 MolecularWeight: 389.44878

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)[O-]

Isomeric SMILES

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C19H27N5O4/c1-24(12-18(27)28)8-4-13(5-9-24)22-6-7-23(17(26)11-22)16-3-2-14(25)10-15(16)19(20)21/h2-3,10,13H,4-9,11-12H2,1H3,(H4-,20,21,25,27,28)