N-(2-methoxy-5-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Formula: C20H33N3O2+2 MolecularWeight: 347.49492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

InChI=1S/C20H31N3O2/c1-16-6-7-19(25-2)18(14-16)21-20(24)15-22-12-8-17(9-13-22)23-10-4-3-5-11-23/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,21,24)/p+2