[(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(3-ethoxypropyl)azanium

Systemtic Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenyl-thiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-(3-ethoxypropyl)azanium Openeye Name: [(1R)-2-[(3-ethoxycarbonyl-4-phenyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-(3-ethoxypropyl)ammonium CAS Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-(3-ethoxypropyl)ammonium IUPAC Name: [(2R)-1-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-1-oxopropan-2-yl]-(3-ethoxypropyl)azanium Traditional Name: [(1R)-2-[(3-carbethoxy-4-phenyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-(3-ethoxypropyl)ammonium Formula: C21H29N2O4S+ MolecularWeight: 405.53096

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCC[NH2+]C(C)C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOCCC[NH2+][C@H](C)C(=O)NC1=C(C(=CS1)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C21H28N2O4S/c1-4-26-13-9-12-22-15(3)19(24)23-20-18(21(25)27-5-2)17(14-28-20)16-10-7-6-8-11-16/h6-8,10-11,14-15,22H,4-5,9,12-13H2,1-3H3,(H,23,24)/p+1/t15-/m1/s1