methanesulfonic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol

Systemtic Name: methanesulfonic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol Openeye Name: methanesulfonic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-(1-piperidyl)chroman-3-ol CAS Name: methanesulfonic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol IUPAC Name: methanesulfonic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-piperidin-1-yl-3,4-dihydrochromen-3-ol Traditional Name: mesylic acid; (3S,4R)-2,2,8-trimethyl-7-nitro-4-piperidino-chroman-3-ol Formula: C18H28N2O7S MolecularWeight: 416.48912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(C(C2N3CCCCC3)O)(C)C)[N+](=O)[O-].CS(=O)(=O)O

Isomeric SMILES

CC1=C(C=CC2=C1OC([C@H]([C@@H]2N3CCCCC3)O)(C)C)[N+](=O)[O-].CS(=O)(=O)O

InChI

InChI=1S/C17H24N2O4.CH4O3S/c1-11-13(19(21)22)8-7-12-14(18-9-5-4-6-10-18)16(20)17(2,3)23-15(11)12;1-5(2,3)4/h7-8,14,16,20H,4-6,9-10H2,1-3H3;1H3,(H,2,3,4)/t14-,16+;/m1./s1