N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromen-6-yl]ethanamide; methanesulfonic acid

Systemtic Name: N-[(3S,4R)-2,2-dimethyl-3-oxidanyl-4-piperidin-1-yl-3,4-dihydrochromen-6-yl]ethanamide; methanesulfonic acid Openeye Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-piperidyl)chroman-6-yl]acetamide; methanesulfonic acid CAS Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-4-(1-piperidinyl)-3,4-dihydro-2H-1-benzopyran-6-yl]acetamide; methanesulfonic acid IUPAC Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidin-1-yl-3,4-dihydrochromen-6-yl]acetamide; methanesulfonic acid Traditional Name: N-[(3S,4R)-3-hydroxy-2,2-dimethyl-4-piperidino-chroman-6-yl]acetamide; mesylic acid Formula: C19H30N2O6S MolecularWeight: 414.5163

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)OC(C(C2N3CCCCC3)O)(C)C.CS(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)OC([C@H]([C@@H]2N3CCCCC3)O)(C)C.CS(=O)(=O)O

InChI

InChI=1S/C18H26N2O3.CH4O3S/c1-12(21)19-13-7-8-15-14(11-13)16(17(22)18(2,3)23-15)20-9-5-4-6-10-20;1-5(2,3)4/h7-8,11,16-17,22H,4-6,9-10H2,1-3H3,(H,19,21);1H3,(H,2,3,4)/t16-,17+;/m1./s1