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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-thiophen-2-yl-butanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-4-(2-thienyl)butanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-4-thiophen-2-ylbutanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-4-thiophen-2-ylbutanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-4-(2-thienyl)butyramide Formula: C23H31N2OS+ MolecularWeight: 383.57004

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCCC4=CC=CS4

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCCC4=CC=CS4

InChI

InChI=1S/C23H30N2OS/c1-24(23(26)12-4-10-22-11-6-14-27-22)20-9-5-13-25(17-20)21-15-18-7-2-3-8-19(18)16-21/h2-3,6-8,11,14,20-21H,4-5,9-10,12-13,15-17H2,1H3/p+1/t20-/m0/s1