(2-carbamimidoyl-2-pyridin-3-yl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate

Systemtic Name: (2-carbamimidoyl-2-pyridin-3-yl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate Openeye Name: [2-carbamimidoyl-2-(3-pyridyl)piperazin-1-yl] 2-(1-hydroxycyclohexyl)acetate CAS Name: 2-(1-hydroxycyclohexyl)acetic acid [2-carbamimidoyl-2-(3-pyridinyl)-1-piperazinyl] ester IUPAC Name: (2-carbamimidoyl-2-pyridin-3-ylpiperazin-1-yl) 2-(1-hydroxycyclohexyl)acetate Traditional Name: 2-(1-hydroxycyclohexyl)acetic acid [2-amidino-2-(3-pyridyl)piperazino] ester Formula: C18H27N5O3 MolecularWeight: 361.43868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)ON2CCNCC2(C3=CN=CC=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)ON2CCNCC2(C3=CN=CC=C3)C(=N)N)O

InChI

InChI=1S/C18H27N5O3/c19-16(20)18(14-5-4-8-21-12-14)13-22-9-10-23(18)26-15(24)11-17(25)6-2-1-3-7-17/h4-5,8,12,22,25H,1-3,6-7,9-11,13H2,(H3,19,20)