N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-thiophen-2-yl-propanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-thiophen-2-yl-propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(2-thienyl)propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-thiophen-2-ylpropanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-thiophen-2-ylpropanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-(2-thienyl)propionamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCC4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCC4=CC=CS4

InChI

InChI=1S/C21H26N2OS/c24-21(10-9-20-8-4-12-25-20)22-18-7-3-11-23(15-18)19-13-16-5-1-2-6-17(16)14-19/h1-2,4-6,8,12,18-19H,3,7,9-11,13-15H2,(H,22,24)/p+1/t18-/m0/s1