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

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonyl-phenyl)-3-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonylphenyl)-3-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-methoxycarbonylphenyl)-3-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-carbomethoxy-phenyl)-3-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C22H31N5O5 MolecularWeight: 445.51204

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Descriptors Computed from Structure

Canonical SMILES:

CC[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

CC[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/C22H31N5O5/c1-3-27(14-20(29)30)10-6-16(7-11-27)25-8-9-26(19(28)13-25)18-5-4-15(22(31)32-2)12-17(18)21(23)24/h4-5,12,16H,3,6-11,13-14H2,1-2H3,(H3-,23,24,29,30)