[3-[(E)-N'-(3-piperidin-1-ylpropoxy)carbamimidoyl]pyridin-2-yl] pyridine-3-carboxylate

Systemtic Name: [3-[(E)-N'-(3-piperidin-1-ylpropoxy)carbamimidoyl]pyridin-2-yl] pyridine-3-carboxylate Openeye Name: [3-[(E)-N'-[3-(1-piperidyl)propoxy]carbamimidoyl]-2-pyridyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [3-[(E)-amino-[3-(1-piperidinyl)propoxyimino]methyl]-2-pyridinyl] ester IUPAC Name: [3-[(E)-N'-(3-piperidin-1-ylpropoxy)carbamimidoyl]pyridin-2-yl] pyridine-3-carboxylate Traditional Name: nicotinic acid [3-[(E)-N'-(3-piperidinopropoxy)amidino]-2-pyridyl] ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCON=C(C2=C(N=CC=C2)OC(=O)C3=CN=CC=C3)N

Isomeric SMILES

C1CCN(CC1)CCCO/N=C(\C2=C(N=CC=C2)OC(=O)C3=CN=CC=C3)/N

InChI

InChI=1S/C20H25N5O3/c21-18(24-27-14-6-13-25-11-2-1-3-12-25)17-8-5-10-23-19(17)28-20(26)16-7-4-9-22-15-16/h4-5,7-10,15H,1-3,6,11-14H2,(H2,21,24)