2-[4-[4-(2-carbamimidoyl-4-methoxycarbonyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonyl-phenyl)-3-oxo-piperazin-1-yl]-1-methyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonylphenyl)-3-oxo-1-piperazinyl]-1-methyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonylphenyl)-3-oxopiperazin-1-yl]-1-methylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-carbomethoxy-phenyl)-3-keto-piperazino]-1-methyl-piperidin-1-ium-1-yl]acetate Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c1-26(13-19(28)29)9-5-15(6-10-26)24-7-8-25(18(27)12-24)17-4-3-14(21(30)31-2)11-16(17)20(22)23/h3-4,11,15H,5-10,12-13H2,1-2H3,(H3-,22,23,28,29)