[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)azanium

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxy-phenyl)azanium Openeye Name: [2-isopropoxy-5-(1-piperidylsulfonyl)phenyl]-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-[5-(1-piperidinylsulfonyl)-2-propan-2-yloxyphenyl]ammonium IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-(5-piperidin-1-ylsulfonyl-2-propan-2-yloxyphenyl)azanium Traditional Name: (2-isopropoxy-5-piperidinosulfonyl-phenyl)-[2-keto-2-[(3S)-3-methylpiperidino]ethyl]ammonium Formula: C22H36N3O4S+ MolecularWeight: 438.60394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC(C)C

InChI

InChI=1S/C22H35N3O4S/c1-17(2)29-21-10-9-19(30(27,28)25-12-5-4-6-13-25)14-20(21)23-15-22(26)24-11-7-8-18(3)16-24/h9-10,14,17-18,23H,4-8,11-13,15-16H2,1-3H3/p+1/t18-/m0/s1