N'-(3-methylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide

Systemtic Name: N'-(3-methylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]ethanediamide Openeye Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-N'-(m-tolyl)oxamide CAS Name: N'-(3-methylphenyl)-N-[(1-propan-2-yl-4-piperidin-1-iumyl)methyl]oxamide IUPAC Name: N'-(3-methylphenyl)-N-[(1-propan-2-ylpiperidin-1-ium-4-yl)methyl]oxamide Traditional Name: N-[(1-isopropylpiperidin-1-ium-4-yl)methyl]-N'-(m-tolyl)oxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2/c1-13(2)21-9-7-15(8-10-21)12-19-17(22)18(23)20-16-6-4-5-14(3)11-16/h4-6,11,13,15H,7-10,12H2,1-3H3,(H,19,22)(H,20,23)/p+1