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

Systemtic Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate hydrochloride Openeye Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate hydrochloride CAS Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate hydrochloride IUPAC Name: 2-[4-[4-(4-carbamimidoylphenyl)-3-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate hydrochloride Traditional Name: 2-[4-[4-(4-amidinophenyl)-3-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate hydrochloride Formula: C20H30ClN5O3 MolecularWeight: 423.9369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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