N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrrolidin-1-ium-1-yl-propanamide CAS Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: N-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyrrolidin-1-ium-1-yl-propionamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCCC3)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)CC[NH+]3CCCC3)C#N

InChI

InChI=1S/C16H21N3OS/c17-11-13-12-5-1-2-6-14(12)21-16(13)18-15(20)7-10-19-8-3-4-9-19/h1-10H2,(H,18,20)/p+1