[(1R)-2-[2-[(3,4-diethoxyphenyl)carbonylamino]ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[2-[(3,4-diethoxyphenyl)carbonylamino]ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[2-[[(3,4-diethoxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[2-[(3,4-diethoxybenzoyl)amino]acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H30N3O4S+ MolecularWeight: 420.5456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NCC(C2=CSC=C2)[NH+](C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC(=O)NC[C@@H](C2=CSC=C2)[NH+](C)C)OCC

InChI

InChI=1S/C21H29N3O4S/c1-5-27-18-8-7-15(11-19(18)28-6-2)21(26)23-13-20(25)22-12-17(24(3)4)16-9-10-29-14-16/h7-11,14,17H,5-6,12-13H2,1-4H3,(H,22,25)(H,23,26)/p+1/t17-/m0/s1