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

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethoxy-benzamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-3,4-dimethoxybenzamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-3,4-dimethoxy-benzamide Formula: C22H27N2O6+ MolecularWeight: 415.45958

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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+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC[C@H](C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H26N2O6/c1-26-18-5-4-16(12-20(18)27-2)22(25)23-13-17(24-7-9-28-10-8-24)15-3-6-19-21(11-15)30-14-29-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,23,25)/p+1/t17-/m1/s1