3,4-diethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzamide

Systemtic Name: 3,4-diethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzamide Openeye Name: 3,4-diethoxy-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]benzamide CAS Name: 3,4-diethoxy-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]benzamide IUPAC Name: 3,4-diethoxy-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]benzamide Traditional Name: 3,4-diethoxy-N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]benzamide Formula: C20H33N2O3+ MolecularWeight: 349.48762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NCC2CC[NH+](CC2)C(C)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2CC[NH+](CC2)C(C)C)OCC

InChI

InChI=1S/C20H32N2O3/c1-5-24-18-8-7-17(13-19(18)25-6-2)20(23)21-14-16-9-11-22(12-10-16)15(3)4/h7-8,13,15-16H,5-6,9-12,14H2,1-4H3,(H,21,23)/p+1