[(1R)-2-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[(4-butoxy-3-methoxy-phenyl)carbonylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[(4-butoxy-3-methoxy-benzoyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[(4-butoxy-3-methoxyphenyl)-oxomethyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[(4-butoxy-3-methoxybenzoyl)amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(4-butoxy-3-methoxy-benzoyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H29N2O3S+ MolecularWeight: 377.52086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+](C)C)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+](C)C)OC

InChI

InChI=1S/C20H28N2O3S/c1-5-6-11-25-17-10-9-15(13-18(17)24-4)20(23)21-14-16(22(2)3)19-8-7-12-26-19/h7-10,12-13,16H,5-6,11,14H2,1-4H3,(H,21,23)/p+1/t16-/m1/s1