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

Systemtic Name: 2-[4-[4-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)-3-oxidanylidene-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-[4-(2-carbamimidoyl-4-ethoxycarbonyl-phenyl)-3-oxo-piperazin-1-yl]-1-ethyl-piperidin-1-ium-1-yl]acetate CAS Name: 2-[4-[4-(2-carbamimidoyl-4-ethoxycarbonylphenyl)-3-oxo-1-piperazinyl]-1-ethyl-1-piperidin-1-iumyl]acetate IUPAC Name: 2-[4-[4-(2-carbamimidoyl-4-ethoxycarbonylphenyl)-3-oxopiperazin-1-yl]-1-ethylpiperidin-1-ium-1-yl]acetate Traditional Name: 2-[4-[4-(2-amidino-4-carbethoxy-phenyl)-3-keto-piperazino]-1-ethyl-piperidin-1-ium-1-yl]acetate Formula: C23H33N5O5 MolecularWeight: 459.53862

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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)OCC)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)OCC)C(=N)N)CC(=O)[O-]

InChI

InChI=1S/C23H33N5O5/c1-3-28(15-21(30)31)11-7-17(8-12-28)26-9-10-27(20(29)14-26)19-6-5-16(23(32)33-4-2)13-18(19)22(24)25/h5-6,13,17H,3-4,7-12,14-15H2,1-2H3,(H3-,24,25,30,31)