methyl 2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-1-yl]ethanoate hydrochloride

Systemtic Name: methyl 2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-1-yl]ethanoate hydrochloride Openeye Name: methyl 2-[4-(4-carbamimidoylphenyl)-3-oxo-4-piperazin-1-yl-1-piperidyl]acetate hydrochloride CAS Name: 2-[4-(4-carbamimidoylphenyl)-3-oxo-4-(1-piperazinyl)-1-piperidinyl]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[4-(4-carbamimidoylphenyl)-3-oxo-4-piperazin-1-ylpiperidin-1-yl]acetate hydrochloride Traditional Name: 2-[4-(4-amidinophenyl)-3-keto-4-piperazino-piperidino]acetic acid methyl ester hydrochloride Formula: C19H28ClN5O3 MolecularWeight: 409.91032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCC(C(=O)C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3.Cl

Isomeric SMILES

COC(=O)CN1CCC(C(=O)C1)(C2=CC=C(C=C2)C(=N)N)N3CCNCC3.Cl

InChI

InChI=1S/C19H27N5O3.ClH/c1-27-17(26)13-23-9-6-19(16(25)12-23,24-10-7-22-8-11-24)15-4-2-14(3-5-15)18(20)21;/h2-5,22H,6-13H2,1H3,(H3,20,21);1H