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

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)-3-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-3-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)-3-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C20H29N5O4 MolecularWeight: 403.47536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O4/c1-2-25(13-19(28)29)9-5-14(6-10-25)23-7-8-24(18(27)12-23)17-4-3-15(26)11-16(17)20(21)22/h3-4,11,14H,2,5-10,12-13H2,1H3,(H4-,21,22,26,28,29)