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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4/c1-25-17-6-4-5-16(11-17)21(24)22-13-18(23-9-2-3-10-23)15-7-8-19-20(12-15)27-14-26-19/h4-8,11-12,18H,2-3,9-10,13-14H2,1H3,(H,22,24)/p+1/t18-/m0/s1