1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxidanylidene-propyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-oxo-propyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[3-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)amino]-3-keto-propyl]piperidin-1-ium-4-carboxamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCC(CC3)C(=O)N)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCC(CC3)C(=O)N)C#N

InChI

InChI=1S/C18H24N4O2S/c19-11-14-13-3-1-2-4-15(13)25-18(14)21-16(23)7-10-22-8-5-12(6-9-22)17(20)24/h12H,1-10H2,(H2,20,24)(H,21,23)/p+1