(2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-propanamide

Systemtic Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-pyrrolidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrrolidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-pyrrolidin-1-ium-1-yl-propionamide Formula: C17H24N3OS+ MolecularWeight: 318.45696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)[NH+]3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)[NH+]3CCCC3

InChI

InChI=1S/C17H23N3OS/c1-12(20-9-5-6-10-20)16(21)19-17-14(11-18)13-7-3-2-4-8-15(13)22-17/h12H,2-10H2,1H3,(H,19,21)/p+1/t12-/m1/s1