2-[2-chloranylethanoyl-(2-methoxy-5-methyl-phenyl)amino]-N-cyclohexyl-2-pyridin-1-ium-3-yl-ethanamide

Systemtic Name: 2-[2-chloranylethanoyl-(2-methoxy-5-methyl-phenyl)amino]-N-cyclohexyl-2-pyridin-1-ium-3-yl-ethanamide Openeye Name: 2-(N-(2-chloroacetyl)-2-methoxy-5-methyl-anilino)-N-cyclohexyl-2-pyridin-1-ium-3-yl-acetamide CAS Name: 2-(N-(2-chloro-1-oxoethyl)-2-methoxy-5-methylanilino)-N-cyclohexyl-2-(3-pyridin-1-iumyl)acetamide IUPAC Name: 2-(N-(2-chloroacetyl)-2-methoxy-5-methylanilino)-N-cyclohexyl-2-pyridin-1-ium-3-ylacetamide Traditional Name: 2-(N-(2-chloroacetyl)-2-methoxy-5-methyl-anilino)-N-cyclohexyl-2-pyridin-1-ium-3-yl-acetamide Formula: C23H29ClN3O3+ MolecularWeight: 430.94766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N(C(C2=C[NH+]=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N(C(C2=C[NH+]=CC=C2)C(=O)NC3CCCCC3)C(=O)CCl

InChI

InChI=1S/C23H28ClN3O3/c1-16-10-11-20(30-2)19(13-16)27(21(28)14-24)22(17-7-6-12-25-15-17)23(29)26-18-8-4-3-5-9-18/h6-7,10-13,15,18,22H,3-5,8-9,14H2,1-2H3,(H,26,29)/p+1