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

Systemtic Name: ethyl 2-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-4-piperazin-1-yl-piperidin-1-yl]ethanoate hydrochloride Openeye Name: ethyl 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 ethyl ester hydrochloride IUPAC Name: ethyl 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 ethyl ester hydrochloride Formula: C20H30ClN5O3 MolecularWeight: 423.9369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N5O3.ClH/c1-2-28-18(27)14-24-10-7-20(17(26)13-24,25-11-8-23-9-12-25)16-5-3-15(4-6-16)19(21)22;/h3-6,23H,2,7-14H2,1H3,(H3,21,22);1H