[2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(1-ethylpiperidin-1-ium-4-yl)-methyl-azanium

Systemtic Name: [2-[(5-chloranyl-3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(1-ethylpiperidin-1-ium-4-yl)-methyl-azanium Openeye Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-2-oxo-ethyl]-(1-ethylpiperidin-1-ium-4-yl)-methyl-ammonium CAS Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-2-oxoethyl]-(1-ethyl-4-piperidin-1-iumyl)-methylammonium IUPAC Name: [2-[(5-chloro-3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]-(1-ethylpiperidin-1-ium-4-yl)-methylazanium Traditional Name: [2-[(3-carbethoxy-5-chloro-4-phenyl-2-thienyl)amino]-2-keto-ethyl]-(1-ethylpiperidin-1-ium-4-yl)-methyl-ammonium Formula: C23H32ClN3O3S+2 MolecularWeight: 466.03648

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=C(C(=C(S2)Cl)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH+](C)CC(=O)NC2=C(C(=C(S2)Cl)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C23H30ClN3O3S/c1-4-27-13-11-17(12-14-27)26(3)15-18(28)25-22-20(23(29)30-5-2)19(21(24)31-22)16-9-7-6-8-10-16/h6-10,17H,4-5,11-15H2,1-3H3,(H,25,28)/p+2