N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dimethoxy-benzamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4)OC

InChI

InChI=1S/C22H26N2O5/c1-26-18-7-6-16(12-20(18)27-2)22(25)23-13-17(24-9-3-4-10-24)15-5-8-19-21(11-15)29-14-28-19/h5-8,11-12,17H,3-4,9-10,13-14H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1