N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethyl-thiophene-2-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethyl-thiophene-2-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,5-dimethyl-thiophene-2-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N,5-dimethyl-2-thiophenecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethylthiophene-2-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,5-dimethyl-thiophene-2-carboxamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC=C(S1)C(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N2OS/c1-15-9-10-20(25-15)21(24)22(2)18-8-5-11-23(14-18)19-12-16-6-3-4-7-17(16)13-19/h3-4,6-7,9-10,18-19H,5,8,11-14H2,1-2H3/p+1/t18-/m0/s1