1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]-N-(2-hydroxyphenyl)piperidin-1-ium-4-carboxamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)C[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3O)C

InChI

InChI=1S/C24H31N3O3/c1-17-8-9-20(18(2)14-17)15-26(3)23(29)16-27-12-10-19(11-13-27)24(30)25-21-6-4-5-7-22(21)28/h4-9,14,19,28H,10-13,15-16H2,1-3H3,(H,25,30)/p+1