N-[1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide

Systemtic Name: N-[1-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Openeye Name: N-[1-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide CAS Name: N-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-4-piperidin-1-iumyl]cyclohexanecarboxamide IUPAC Name: N-[1-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Traditional Name: N-[1-[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]piperidin-1-ium-4-yl]cyclohexanecarboxamide Formula: C21H31ClN3O2+ MolecularWeight: 392.94274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)C[NH+]2CCC(CC2)NC(=O)C3CCCCC3

InChI

InChI=1S/C21H30ClN3O2/c1-15-18(22)8-5-9-19(15)24-20(26)14-25-12-10-17(11-13-25)23-21(27)16-6-3-2-4-7-16/h5,8-9,16-17H,2-4,6-7,10-14H2,1H3,(H,23,27)(H,24,26)/p+1