methyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-ylidene]ethanoate hydrochloride

Systemtic Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperazin-1-yl]carbonylpiperidin-4-ylidene]ethanoate hydrochloride Openeye Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]-4-piperidylidene]acetate hydrochloride CAS Name: 2-[1-[[4-(4-carbamimidoylphenyl)-1-piperazinyl]-oxomethyl]-4-piperidinylidene]acetic acid methyl ester hydrochloride IUPAC Name: methyl 2-[1-[4-(4-carbamimidoylphenyl)piperazine-1-carbonyl]piperidin-4-ylidene]acetate hydrochloride Traditional Name: 2-[1-[4-(4-amidinophenyl)piperazine-1-carbonyl]-4-piperidylidene]acetic acid methyl ester hydrochloride Formula: C20H28ClN5O3 MolecularWeight: 421.92102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=C1CCN(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

Isomeric SMILES

COC(=O)C=C1CCN(CC1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)C(=N)N.Cl

InChI

InChI=1S/C20H27N5O3.ClH/c1-28-18(26)14-15-6-8-24(9-7-15)20(27)25-12-10-23(11-13-25)17-4-2-16(3-5-17)19(21)22;/h2-5,14H,6-13H2,1H3,(H3,21,22);1H