N'-(3-chloranyl-4-methyl-phenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-chloranyl-4-methyl-phenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N'-(3-chloro-4-methyl-phenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide CAS Name: N'-(3-chloro-4-methylphenyl)-N-[(1-cyclopentyl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-chloro-4-methylphenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N'-(3-chloro-4-methyl-phenyl)-N-[(1-cyclopentylpiperidin-1-ium-4-yl)methyl]oxamide Formula: C20H29ClN3O2+ MolecularWeight: 378.91616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O2/c1-14-6-7-16(12-18(14)21)23-20(26)19(25)22-13-15-8-10-24(11-9-15)17-4-2-3-5-17/h6-7,12,15,17H,2-5,8-11,13H2,1H3,(H,22,25)(H,23,26)/p+1