N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C22H27N2O3+ MolecularWeight: 367.46138

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1(OC2=C(O1)C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4)C

InChI

InChI=1S/C22H26N2O3/c1-22(2)26-19-11-10-18(14-20(19)27-22)23-21(25)17-8-6-16(7-9-17)15-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,23,25)/p+1