2-[2-(2-bromanyl-4-carbamimidoyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate

Systemtic Name: 2-[2-(2-bromanyl-4-carbamimidoyl-phenyl)-2-piperazin-1-yl-piperidin-1-yl]ethanoate Openeye Name: 2-[2-(2-bromo-4-carbamimidoyl-phenyl)-2-piperazin-1-yl-1-piperidyl]acetate CAS Name: 2-[2-(2-bromo-4-carbamimidoylphenyl)-2-(1-piperazinyl)-1-piperidinyl]acetate IUPAC Name: 2-[2-(2-bromo-4-carbamimidoylphenyl)-2-piperazin-1-ylpiperidin-1-yl]acetate Traditional Name: 2-[2-(4-amidino-2-bromo-phenyl)-2-piperazino-piperidino]acetate Formula: C18H25BrN5O2- MolecularWeight: 423.3274

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)(C2=C(C=C(C=C2)C(=N)N)Br)N3CCNCC3)CC(=O)[O-]

Isomeric SMILES

C1CCN(C(C1)(C2=C(C=C(C=C2)C(=N)N)Br)N3CCNCC3)CC(=O)[O-]

InChI

InChI=1S/C18H26BrN5O2/c19-15-11-13(17(20)21)3-4-14(15)18(23-9-6-22-7-10-23)5-1-2-8-24(18)12-16(25)26/h3-4,11,22H,1-2,5-10,12H2,(H3,20,21)(H,25,26)/p-1