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

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methyl-3-(1-methyl-4-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propanamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-3-(1-methylpyrazol-4-yl)propionamide Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CCC(=O)N(C)C2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CN1C=C(C=N1)CCC(=O)N(C)[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C22H30N4O/c1-24-15-17(14-23-24)9-10-22(27)25(2)20-8-5-11-26(16-20)21-12-18-6-3-4-7-19(18)13-21/h3-4,6-7,14-15,20-21H,5,8-13,16H2,1-2H3/p+1/t20-/m0/s1