2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-yl-piperidin-1-yl)ethanoic acid

Systemtic Name: 2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-yl-piperidin-1-yl)ethanoic acid Openeye Name: 2-[6-carbamimidoyl-2-piperazin-1-yl-2-(3-pyridyl)-1-piperidyl]acetic acid CAS Name: 2-[6-carbamimidoyl-2-(1-piperazinyl)-2-(3-pyridinyl)-1-piperidinyl]acetic acid IUPAC Name: 2-(6-carbamimidoyl-2-piperazin-1-yl-2-pyridin-3-ylpiperidin-1-yl)acetic acid Traditional Name: 2-[6-amidino-2-piperazino-2-(3-pyridyl)piperidino]acetic acid Formula: C17H26N6O2 MolecularWeight: 346.42734

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C(C1)(C2=CN=CC=C2)N3CCNCC3)CC(=O)O)C(=N)N

Isomeric SMILES

C1CC(N(C(C1)(C2=CN=CC=C2)N3CCNCC3)CC(=O)O)C(=N)N

InChI

InChI=1S/C17H26N6O2/c18-16(19)14-4-1-5-17(23(14)12-15(24)25,13-3-2-6-21-11-13)22-9-7-20-8-10-22/h2-3,6,11,14,20H,1,4-5,7-10,12H2,(H3,18,19)(H,24,25)