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

Systemtic Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-yl-phenyl)azanium Openeye Name: [2-[(3S)-3-methyl-1-piperidyl]-2-oxo-ethyl]-(5-morpholinosulfonyl-2-pyrrolidin-1-yl-phenyl)ammonium CAS Name: [2-[(3S)-3-methyl-1-piperidinyl]-2-oxoethyl]-[5-(4-morpholinylsulfonyl)-2-(1-pyrrolidinyl)phenyl]ammonium IUPAC Name: [2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]-(5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylphenyl)azanium Traditional Name: [2-keto-2-[(3S)-3-methylpiperidino]ethyl]-(5-morpholinosulfonyl-2-pyrrolidino-phenyl)ammonium Formula: C22H35N4O4S+ MolecularWeight: 451.6027

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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)N4CCCC4

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)C[NH2+]C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)N4CCCC4

InChI

InChI=1S/C22H34N4O4S/c1-18-5-4-10-25(17-18)22(27)16-23-20-15-19(6-7-21(20)24-8-2-3-9-24)31(28,29)26-11-13-30-14-12-26/h6-7,15,18,23H,2-5,8-14,16-17H2,1H3/p+1/t18-/m0/s1