2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoic acid Openeye Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-yl-1-piperidyl]acetic acid CAS Name: 2-[2-(4-carbamimidoylphenyl)-2-(1-piperazinyl)-1-piperidinyl]acetic acid IUPAC Name: 2-[2-(4-carbamimidoylphenyl)-2-piperazin-1-ylpiperidin-1-yl]acetic acid Traditional Name: 2-[2-(4-amidinophenyl)-2-piperazino-piperidino]acetic acid Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)O

Isomeric SMILES

C1CCN(C(C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3)CC(=O)O

InChI

InChI=1S/C18H27N5O2/c19-17(20)14-3-5-15(6-4-14)18(22-11-8-21-9-12-22)7-1-2-10-23(18)13-16(24)25/h3-6,21H,1-2,7-13H2,(H3,19,20)(H,24,25)