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

Systemtic Name: (2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]azanium Openeye Name: [2-methoxy-5-(1-piperidylsulfonyl)phenyl]-[2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]ammonium CAS Name: [2-methoxy-5-(1-piperidinylsulfonyl)phenyl]-[2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]ammonium IUPAC Name: (2-methoxy-5-piperidin-1-ylsulfonylphenyl)-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]azanium Traditional Name: [2-keto-2-[(3S)-3-methylpiperidino]ethyl]-(2-methoxy-5-piperidinosulfonyl-phenyl)ammonium Formula: C20H32N3O4S+ MolecularWeight: 410.55078

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O4S/c1-16-7-6-10-22(15-16)20(24)14-21-18-13-17(8-9-19(18)27-2)28(25,26)23-11-4-3-5-12-23/h8-9,13,16,21H,3-7,10-12,14-15H2,1-2H3/p+1/t16-/m0/s1