[2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)azanium

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(2-morpholin-4-yl-5-morpholin-4-ylsulfonyl-phenyl)azanium Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(2-morpholino-5-morpholinosulfonyl-phenyl)ammonium CAS Name: [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-[2-(4-morpholinyl)-5-(4-morpholinylsulfonyl)phenyl]ammonium IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)azanium Traditional Name: [2-keto-2-[(3S)-3-methylpiperidino]ethyl]-(2-morpholino-5-morpholinosulfonyl-phenyl)ammonium Formula: C22H35N4O5S+ MolecularWeight: 467.6021

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCOCC4

InChI

InChI=1S/C22H34N4O5S/c1-18-3-2-6-25(17-18)22(27)16-23-20-15-19(32(28,29)26-9-13-31-14-10-26)4-5-21(20)24-7-11-30-12-8-24/h4-5,15,18,23H,2-3,6-14,16-17H2,1H3/p+1/t18-/m0/s1