[3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3-aminocarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]ammonium CAS Name: [3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]ammonium IUPAC Name: [3-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]azanium Traditional Name: [3-[(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]ammonium Formula: C12H18N3O2S+ MolecularWeight: 268.35522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH3+])C(=O)N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH3+])C(=O)N

InChI

InChI=1S/C12H17N3O2S/c13-6-5-9(16)15-12-10(11(14)17)7-3-1-2-4-8(7)18-12/h1-6,13H2,(H2,14,17)(H,15,16)/p+1