[2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]azanium

Systemtic Name: [2-(azocan-1-yl)-2-oxidanylidene-ethyl]-[2-(dimethylamino)-5-piperidin-1-ylsulfonyl-phenyl]azanium Openeye Name: [2-(azocan-1-yl)-2-oxo-ethyl]-[2-(dimethylamino)-5-(1-piperidylsulfonyl)phenyl]ammonium CAS Name: [2-(1-azocanyl)-2-oxoethyl]-[2-(dimethylamino)-5-(1-piperidinylsulfonyl)phenyl]ammonium IUPAC Name: [2-(azocan-1-yl)-2-oxoethyl]-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]azanium Traditional Name: [2-(azocan-1-yl)-2-keto-ethyl]-[2-(dimethylamino)-5-piperidinosulfonyl-phenyl]ammonium Formula: C22H37N4O3S+ MolecularWeight: 437.61918

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[NH2+]CC(=O)N3CCCCCCC3

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)[NH2+]CC(=O)N3CCCCCCC3

InChI

InChI=1S/C22H36N4O3S/c1-24(2)21-12-11-19(30(28,29)26-15-9-6-10-16-26)17-20(21)23-18-22(27)25-13-7-4-3-5-8-14-25/h11-12,17,23H,3-10,13-16,18H2,1-2H3/p+1