2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-3,4-dihydro-1H-isoquinoline Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C3C(=CC=C2)OCO3)N4CCC5=CC=CC=C5C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C3C(=CC=C2)OCO3)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C22H26N2O2/c1-2-6-18-14-24(12-10-17(18)5-1)20-8-4-11-23(15-20)13-19-7-3-9-21-22(19)26-16-25-21/h1-3,5-7,9,20H,4,8,10-16H2/p+1/t20-/m0/s1