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

Systemtic Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide Openeye Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide CAS Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-(1-pyrrolidin-1-iumyl)ethyl]-2-methoxybenzamide IUPAC Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-ylethyl]-2-methoxybenzamide Traditional Name: N-[(2R)-2-(1,3-benzodioxol-5-yl)-2-pyrrolidin-1-ium-1-yl-ethyl]-2-methoxy-benzamide Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NCC(C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC[C@@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCCC4

InChI

InChI=1S/C21H24N2O4/c1-25-18-7-3-2-6-16(18)21(24)22-13-17(23-10-4-5-11-23)15-8-9-19-20(12-15)27-14-26-19/h2-3,6-9,12,17H,4-5,10-11,13-14H2,1H3,(H,22,24)/p+1/t17-/m0/s1