1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-1-ium-2-yl]isoquinoline

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-1-ium-2-yl]isoquinoline Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-1-ium-2-yl]isoquinoline CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methyl-2-pyrrolidin-1-iumyl]isoquinoline IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-1-ium-2-yl]isoquinoline Traditional Name: 6,7-dimethoxy-4-[(2S)-1-methylpyrrolidin-1-ium-2-yl]-1-piperonyl-isoquinoline Formula: C24H27N2O4+ MolecularWeight: 407.48218

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCC1C2=CN=C(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+]1CCC[C@H]1C2=CN=C(C3=CC(=C(C=C32)OC)OC)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H26N2O4/c1-26-8-4-5-20(26)18-13-25-19(9-15-6-7-21-24(10-15)30-14-29-21)17-12-23(28-3)22(27-2)11-16(17)18/h6-7,10-13,20H,4-5,8-9,14H2,1-3H3/p+1/t20-/m0/s1