(2-bromanyl-4-carbamimidoyl-2-phenyl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate

Systemtic Name: (2-bromanyl-4-carbamimidoyl-2-phenyl-piperazin-1-yl) 2-(1-oxidanylcyclohexyl)ethanoate Openeye Name: (2-bromo-4-carbamimidoyl-2-phenyl-piperazin-1-yl) 2-(1-hydroxycyclohexyl)acetate CAS Name: 2-(1-hydroxycyclohexyl)acetic acid (2-bromo-4-carbamimidoyl-2-phenyl-1-piperazinyl) ester IUPAC Name: (2-bromo-4-carbamimidoyl-2-phenylpiperazin-1-yl) 2-(1-hydroxycyclohexyl)acetate Traditional Name: 2-(1-hydroxycyclohexyl)acetic acid (4-amidino-2-bromo-2-phenyl-piperazino) ester Formula: C19H27BrN4O3 MolecularWeight: 439.34668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CC(=O)ON2CCN(CC2(C3=CC=CC=C3)Br)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)(CC(=O)ON2CCN(CC2(C3=CC=CC=C3)Br)C(=N)N)O

InChI

InChI=1S/C19H27BrN4O3/c20-19(15-7-3-1-4-8-15)14-23(17(21)22)11-12-24(19)27-16(25)13-18(26)9-5-2-6-10-18/h1,3-4,7-8,26H,2,5-6,9-14H2,(H3,21,22)