[4-ethoxycarbonyl-5-(2-morpholin-4-ium-4-ylethanoylamino)-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-ethoxycarbonyl-5-(2-morpholin-4-ium-4-ylethanoylamino)-3-phenyl-thiophen-2-yl]methyl-dimethyl-azanium Openeye Name: [4-ethoxycarbonyl-5-[(2-morpholin-4-ium-4-ylacetyl)amino]-3-phenyl-2-thienyl]methyl-dimethyl-ammonium CAS Name: [4-ethoxycarbonyl-5-[[2-(4-morpholin-4-iumyl)-1-oxoethyl]amino]-3-phenyl-2-thiophenyl]methyl-dimethylammonium IUPAC Name: [4-ethoxycarbonyl-5-[(2-morpholin-4-ium-4-ylacetyl)amino]-3-phenylthiophen-2-yl]methyl-dimethylazanium Traditional Name: [4-carbethoxy-5-[(2-morpholin-4-ium-4-ylacetyl)amino]-3-phenyl-2-thienyl]methyl-dimethyl-ammonium Formula: C22H31N3O4S+2 MolecularWeight: 433.56424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)NC(=O)C[NH+]3CCOCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)NC(=O)C[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O4S/c1-4-29-22(27)20-19(16-8-6-5-7-9-16)17(14-24(2)3)30-21(20)23-18(26)15-25-10-12-28-13-11-25/h5-9H,4,10-15H2,1-3H3,(H,23,26)/p+2