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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(1-methylpyrrol-3-yl)ethanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(1-methylpyrrol-3-yl)acetamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-2-(1-methyl-3-pyrrolyl)acetamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-2-(1-methylpyrrol-3-yl)acetamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-2-(1-methylpyrrol-3-yl)acetamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)CC(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN1C=CC(=C1)CC(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C21H27N3O/c1-23-10-8-16(14-23)11-21(25)22-19-7-4-9-24(15-19)20-12-17-5-2-3-6-18(17)13-20/h2-3,5-6,8,10,14,19-20H,4,7,9,11-13,15H2,1H3,(H,22,25)/p+1/t19-/m0/s1