N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide CAS Name: N-[[(1S)-1-cyclohex-3-enyl]methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)-1-benzothiophene-2-carboxamide Traditional Name: N-[[(1S)-cyclohex-3-en-1-yl]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzothiophene-2-carboxamide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN(CC2CCC=CC2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CCN(C[C@H]2CCC=CC2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C22H28N2OS/c25-22(21-16-19-10-4-5-11-20(19)26-21)24(15-14-23-12-6-7-13-23)17-18-8-2-1-3-9-18/h1-2,4-5,10-11,16,18H,3,6-9,12-15,17H2/p+1/t18-/m1/s1