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

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-2,3-bis(oxidanylidene)piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate hydrochloride Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-2,3-dioxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate hydrochloride CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-2,3-dioxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate hydrochloride IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-2,3-dioxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate hydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)-2,3-diketo-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate hydrochloride Formula: C20H28ClN5O4 MolecularWeight: 437.92042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4.ClH/c1-2-25(13-17(26)27)11-7-16(8-12-25)24-10-9-23(19(28)20(24)29)15-5-3-14(4-6-15)18(21)22;/h3-6,16H,2,7-13H2,1H3,(H3-,21,22,26,27);1H