3-chloranyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-chloro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-chloro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3S)-1-benzylpiperidin-1-ium-3-yl]-3-chloro-benzothiophene-2-carboxamide Formula: C21H22ClN2OS+ MolecularWeight: 385.93018

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC=CC=C2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H21ClN2OS/c22-19-17-10-4-5-11-18(17)26-20(19)21(25)23-16-9-6-12-24(14-16)13-15-7-2-1-3-8-15/h1-5,7-8,10-11,16H,6,9,12-14H2,(H,23,25)/p+1/t16-/m0/s1