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

Systemtic Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2R)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-piperidin-1-ium-1-yl-propionamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCCCC2)C#N)[NH+]3CCCCC3

InChI

InChI=1S/C18H25N3OS/c1-13(21-10-6-3-7-11-21)17(22)20-18-15(12-19)14-8-4-2-5-9-16(14)23-18/h13H,2-11H2,1H3,(H,20,22)/p+1/t13-/m1/s1