N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-thiophen-2-yl-butanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-(2-thienyl)butanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-4-thiophen-2-ylbutanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-4-thiophen-2-ylbutanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-4-(2-thienyl)butyramide Formula: C22H29N2OS+ MolecularWeight: 369.54346

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCCC4=CC=CS4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)CCCC4=CC=CS4

InChI

InChI=1S/C22H28N2OS/c25-22(11-3-9-21-10-5-13-26-21)23-19-8-4-12-24(16-19)20-14-17-6-1-2-7-18(17)15-20/h1-2,5-7,10,13,19-20H,3-4,8-9,11-12,14-16H2,(H,23,25)/p+1/t19-/m0/s1