N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(p-tolylsulfonyl)-1,4-diazepan-1-ium-1-yl]acetamide CAS Name: N-(1-cyclohexenyl)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide IUPAC Name: N-(cyclohexen-1-yl)-N-ethyl-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexen-1-yl)-N-ethyl-2-(4-tosyl-1,4-diazepan-1-ium-1-yl)acetamide Formula: C22H34N3O3S+ MolecularWeight: 420.58866

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CCCCC1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCN(C1=CCCCC1)C(=O)C[NH+]2CCCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H33N3O3S/c1-3-25(20-8-5-4-6-9-20)22(26)18-23-14-7-15-24(17-16-23)29(27,28)21-12-10-19(2)11-13-21/h8,10-13H,3-7,9,14-18H2,1-2H3/p+1