N-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-ium-1-yl)-2-phenyl-ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(3-methyl-1-piperidin-1-iumyl)-2-phenylacetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-ium-1-yl)-2-phenylacetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(3-methylpiperidin-1-ium-1-yl)-2-phenyl-acetamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1CCC[NH+](C1)C(C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O3/c1-15-6-5-11-23(13-15)20(16-7-3-2-4-8-16)21(24)22-17-9-10-18-19(12-17)26-14-25-18/h2-4,7-10,12,15,20H,5-6,11,13-14H2,1H3,(H,22,24)/p+1