(3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-indan-2-yl-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-(2,3-dihydro-1H-inden-2-yl)-N-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]amine Formula: C23H29N2O3+ MolecularWeight: 381.48796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1CNC3CCC[NH+](C3)C4CC5=CC=CC=C5C4)OCO2

Isomeric SMILES

COC1=CC2=C(C=C1CN[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4)OCO2

InChI

InChI=1S/C23H28N2O3/c1-26-21-12-23-22(27-15-28-23)11-18(21)13-24-19-7-4-8-25(14-19)20-9-16-5-2-3-6-17(16)10-20/h2-3,5-6,11-12,19-20,24H,4,7-10,13-15H2,1H3/p+1/t19-/m0/s1