N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methoxy-5-methyl-phenyl)ethanediamide

Systemtic Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methoxy-5-methyl-phenyl)ethanediamide Openeye Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide CAS Name: N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]-N'-(2-methoxy-5-methylphenyl)oxamide IUPAC Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methoxy-5-methylphenyl)oxamide Traditional Name: N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]-N'-(2-methoxy-5-methyl-phenyl)oxamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)C(=O)NCC2CC[NH+](CC2)C3CCCC3

InChI

InChI=1S/C21H31N3O3/c1-15-7-8-19(27-2)18(13-15)23-21(26)20(25)22-14-16-9-11-24(12-10-16)17-5-3-4-6-17/h7-8,13,16-17H,3-6,9-12,14H2,1-2H3,(H,22,25)(H,23,26)/p+1