[(2R)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)azanium

Systemtic Name: [(2R)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-butan-2-yl]-(4-morpholin-4-ylsulfonyl-2-nitro-phenyl)azanium Openeye Name: [(1R)-2-methyl-1-(4-methylpiperidine-1-carbonyl)propyl]-(4-morpholinosulfonyl-2-nitro-phenyl)ammonium CAS Name: [(2R)-3-methyl-1-(4-methyl-1-piperidinyl)-1-oxobutan-2-yl]-[4-(4-morpholinylsulfonyl)-2-nitrophenyl]ammonium IUPAC Name: [(2R)-3-methyl-1-(4-methylpiperidin-1-yl)-1-oxobutan-2-yl]-(4-morpholin-4-ylsulfonyl-2-nitrophenyl)azanium Traditional Name: [(1R)-2-methyl-1-(4-methylpiperidine-1-carbonyl)propyl]-(4-morpholinosulfonyl-2-nitro-phenyl)ammonium Formula: C21H33N4O6S+ MolecularWeight: 469.57492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C(C)C)[NH2+]C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@@H](C(C)C)[NH2+]C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C21H32N4O6S/c1-15(2)20(21(26)23-8-6-16(3)7-9-23)22-18-5-4-17(14-19(18)25(27)28)32(29,30)24-10-12-31-13-11-24/h4-5,14-16,20,22H,6-13H2,1-3H3/p+1/t20-/m1/s1