(3R)-3-[(4-thiophen-2-ylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate

Systemtic Name: (3R)-3-[(4-thiophen-2-ylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Openeye Name: (3R)-3-[[4-(2-thienyl)phenyl]carbamoylamino]-4-(trimethylammonio)butanoate CAS Name: (3R)-3-[[oxo-(4-thiophen-2-ylanilino)methyl]amino]-4-(trimethylammonio)butanoate IUPAC Name: (3R)-3-[(4-thiophen-2-ylphenyl)carbamoylamino]-4-(trimethylazaniumyl)butanoate Traditional Name: (3R)-3-[[4-(2-thienyl)phenyl]carbamoylamino]-4-(trimethylammonio)butyrate Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)[O-])NC(=O)NC1=CC=C(C=C1)C2=CC=CS2

Isomeric SMILES

C[N+](C)(C)C[C@@H](CC(=O)[O-])NC(=O)NC1=CC=C(C=C1)C2=CC=CS2

InChI

InChI=1S/C18H23N3O3S/c1-21(2,3)12-15(11-17(22)23)20-18(24)19-14-8-6-13(7-9-14)16-5-4-10-25-16/h4-10,15H,11-12H2,1-3H3,(H2-,19,20,22,23,24)/t15-/m1/s1