2-[4-(4-carbamimidoylphenyl)-2,2-diethyl-1-piperazin-1-yl-piperidin-3-yl]ethanoate hydrochloride

Systemtic Name: 2-[4-(4-carbamimidoylphenyl)-2,2-diethyl-1-piperazin-1-yl-piperidin-3-yl]ethanoate hydrochloride Openeye Name: 2-[4-(4-carbamimidoylphenyl)-2,2-diethyl-1-piperazin-1-yl-3-piperidyl]acetate hydrochloride CAS Name: 2-[4-(4-carbamimidoylphenyl)-2,2-diethyl-1-(1-piperazinyl)-3-piperidinyl]acetate hydrochloride IUPAC Name: 2-[4-(4-carbamimidoylphenyl)-2,2-diethyl-1-piperazin-1-ylpiperidin-3-yl]acetate hydrochloride Traditional Name: 2-[4-(4-amidinophenyl)-2,2-diethyl-1-piperazino-3-piperidyl]acetate hydrochloride Formula: C22H35ClN5O2- MolecularWeight: 436.9986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-])CC.Cl

Isomeric SMILES

CCC1(C(C(CCN1N2CCNCC2)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-])CC.Cl

InChI

InChI=1S/C22H35N5O2.ClH/c1-3-22(4-2)19(15-20(28)29)18(16-5-7-17(8-6-16)21(23)24)9-12-27(22)26-13-10-25-11-14-26;/h5-8,18-19,25H,3-4,9-15H2,1-2H3,(H3,23,24)(H,28,29);1H/p-1