2-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide

Systemtic Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Openeye Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide CAS Name: 2-[[(2R)-2-(1-azepan-1-iumyl)-1-oxopropyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide IUPAC Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Traditional Name: 2-[[(2R)-2-(azepan-1-ium-1-yl)propanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCCCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C2=C(S1)CCC2)C(=O)N)[NH+]3CCCCCC3

InChI

InChI=1S/C17H25N3O2S/c1-11(20-9-4-2-3-5-10-20)16(22)19-17-14(15(18)21)12-7-6-8-13(12)23-17/h11H,2-10H2,1H3,(H2,18,21)(H,19,22)/p+1/t11-/m1/s1