(3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methylprop-2-enyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methylprop-2-enyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-indan-2-yl-4-piperidyl)-N-(2-methylallyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)-4-piperidinyl]-N-(2-methylprop-2-enyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-4-yl]-N-(2-methylprop-2-enyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-indan-2-yl-4-piperidyl)-N-(2-methylallyl)piperidin-1-ium-3-carboxamide Formula: C24H36N3O+ MolecularWeight: 382.56214

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CNC(=O)C1CCC[NH+](C1)C2CCN(CC2)C3CC4=CC=CC=C4C3

Isomeric SMILES

CC(=C)CNC(=O)[C@H]1CCC[NH+](C1)C2CCN(CC2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C24H35N3O/c1-18(2)16-25-24(28)21-8-5-11-27(17-21)22-9-12-26(13-10-22)23-14-19-6-3-4-7-20(19)15-23/h3-4,6-7,21-23H,1,5,8-17H2,2H3,(H,25,28)/p+1/t21-/m0/s1