N-[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[5-[(3-cyclohexyl-1-oxopropyl)amino]-2-methylphenyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[5-(3-cyclohexylpropanoylamino)-2-methylphenyl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[5-(3-cyclohexylpropanoylamino)-2-methyl-phenyl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C22H27N3O3 MolecularWeight: 381.46808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)NC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CCC2CCCCC2)NC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C22H27N3O3/c1-16-7-9-19(23-21(26)10-8-17-5-3-2-4-6-17)15-20(16)24-22(27)18-11-13-25(28)14-12-18/h7,9,11-15,17H,2-6,8,10H2,1H3,(H,23,26)(H,24,27)