2-(5-carbamimidoyl-2-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-yl)ethanoate

Systemtic Name: 2-(5-carbamimidoyl-2-piperazin-1-yl-2-pyridin-2-yl-piperidin-1-yl)ethanoate Openeye Name: 2-[5-carbamimidoyl-2-piperazin-1-yl-2-(2-pyridyl)-1-piperidyl]acetate CAS Name: 2-[5-carbamimidoyl-2-(1-piperazinyl)-2-(2-pyridinyl)-1-piperidinyl]acetate IUPAC Name: 2-(5-carbamimidoyl-2-piperazin-1-yl-2-pyridin-2-ylpiperidin-1-yl)acetate Traditional Name: 2-[5-amidino-2-piperazino-2-(2-pyridyl)piperidino]acetate Formula: C17H25N6O2- MolecularWeight: 345.4194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(CC1C(=N)N)CC(=O)[O-])(C2=CC=CC=N2)N3CCNCC3

Isomeric SMILES

C1CC(N(CC1C(=N)N)CC(=O)[O-])(C2=CC=CC=N2)N3CCNCC3

InChI

InChI=1S/C17H26N6O2/c18-16(19)13-4-5-17(14-3-1-2-6-21-14,22-9-7-20-8-10-22)23(11-13)12-15(24)25/h1-3,6,13,20H,4-5,7-12H2,(H3,18,19)(H,24,25)/p-1