[3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-(4-azanyl-4-oxidanylidene-butyl)-dimethyl-azanium

Systemtic Name: [3-aminocarbonyl-5-(phenylmethyl)thiophen-2-yl]-(4-azanyl-4-oxidanylidene-butyl)-dimethyl-azanium Openeye Name: (4-amino-4-oxo-butyl)-(5-benzyl-3-carbamoyl-2-thienyl)-dimethyl-ammonium CAS Name: (4-amino-4-oxobutyl)-[3-carbamoyl-5-(phenylmethyl)-2-thiophenyl]-dimethylammonium IUPAC Name: (4-amino-4-oxobutyl)-(5-benzyl-3-carbamoylthiophen-2-yl)-dimethylazanium Traditional Name: (4-amino-4-keto-butyl)-(5-benzyl-3-carbamoyl-2-thienyl)-dimethyl-ammonium Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCC(=O)N)C1=C(C=C(S1)CC2=CC=CC=C2)C(=O)N

Isomeric SMILES

C[N+](C)(CCCC(=O)N)C1=C(C=C(S1)CC2=CC=CC=C2)C(=O)N

InChI

InChI=1S/C18H23N3O2S/c1-21(2,10-6-9-16(19)22)18-15(17(20)23)12-14(24-18)11-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H3-,19,20,22,23)/p+1