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

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-oxidanyl-phenyl)piperazin-1-yl]piperidin-3-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxy-phenyl)piperazin-1-yl]-3-piperidyl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)-1-piperazinyl]-3-piperidinyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-hydroxyphenyl)piperazin-1-yl]piperidin-3-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-hydroxy-phenyl)piperazino]-3-piperidyl]acetate Formula: C18H26N5O3- MolecularWeight: 360.43074

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC(C1N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)[O-]

Isomeric SMILES

C1CNCC(C1N2CCN(CC2)C3=C(C=C(C=C3)O)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C18H27N5O3/c19-18(20)14-10-13(24)1-2-16(14)23-7-5-22(6-8-23)15-3-4-21-11-12(15)9-17(25)26/h1-2,10,12,15,21,24H,3-9,11H2,(H3,19,20)(H,25,26)/p-1