[4-ethoxycarbonyl-3-phenyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophen-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-ethoxycarbonyl-3-phenyl-5-(2-piperidin-1-ium-1-ylethanoylamino)thiophen-2-yl]methyl-dimethyl-azanium Openeye Name: [4-ethoxycarbonyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]-2-thienyl]methyl-dimethyl-ammonium CAS Name: [4-ethoxycarbonyl-5-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-3-phenyl-2-thiophenyl]methyl-dimethylammonium IUPAC Name: [4-ethoxycarbonyl-3-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]thiophen-2-yl]methyl-dimethylazanium Traditional Name: [4-carbethoxy-3-phenyl-5-[(2-piperidin-1-ium-1-ylacetyl)amino]-2-thienyl]methyl-dimethyl-ammonium Formula: C23H33N3O3S+2 MolecularWeight: 431.59142

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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+]3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C[NH+](C)C)NC(=O)C[NH+]3CCCCC3

InChI

InChI=1S/C23H31N3O3S/c1-4-29-23(28)21-20(17-11-7-5-8-12-17)18(15-25(2)3)30-22(21)24-19(27)16-26-13-9-6-10-14-26/h5,7-8,11-12H,4,6,9-10,13-16H2,1-3H3,(H,24,27)/p+2