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

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate hydrochloride Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetate hydrochloride CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetate hydrochloride IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxopiperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetate hydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)-3-keto-piperazino]-1-methyl-piperidin-1-ium-1-yl]acetate hydrochloride Formula: C19H28ClN5O3 MolecularWeight: 409.91032

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-].Cl

Isomeric SMILES

C[N+]1(CCC(CC1)N2CCN(C(=O)C2)C3=CC=C(C=C3)C(=N)N)CC(=O)[O-].Cl

InChI

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