3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methyl-propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N-methylpropanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N-methylpropanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N-methyl-propionamide Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)C2CC3=CC=CC=C3C2)C(=O)CCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H30N2O3/c1-26(25(28)11-9-18-8-10-23-24(13-18)30-17-29-23)21-7-4-12-27(16-21)22-14-19-5-2-3-6-20(19)15-22/h2-3,5-6,8,10,13,21-22H,4,7,9,11-12,14-17H2,1H3/p+1/t21-/m0/s1