(3S)-6-azanyl-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid

Systemtic Name: (3S)-6-azanyl-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Openeye Name: (3S)-6-amino-2,2-dimethyl-4-pyrrolidin-1-yl-chroman-3-ol; methanesulfonic acid CAS Name: (3S)-6-amino-2,2-dimethyl-4-(1-pyrrolidinyl)-3,4-dihydro-2H-1-benzopyran-3-ol; methanesulfonic acid IUPAC Name: (3S)-6-amino-2,2-dimethyl-4-pyrrolidin-1-yl-3,4-dihydrochromen-3-ol; methanesulfonic acid Traditional Name: (3S)-6-amino-2,2-dimethyl-4-pyrrolidino-chroman-3-ol; mesylic acid Formula: C16H26N2O5S MolecularWeight: 358.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)N)N3CCCC3)O)C.CS(=O)(=O)O

Isomeric SMILES

CC1([C@H](C(C2=C(O1)C=CC(=C2)N)N3CCCC3)O)C.CS(=O)(=O)O

InChI

InChI=1S/C15H22N2O2.CH4O3S/c1-15(2)14(18)13(17-7-3-4-8-17)11-9-10(16)5-6-12(11)19-15;1-5(2,3)4/h5-6,9,13-14,18H,3-4,7-8,16H2,1-2H3;1H3,(H,2,3,4)/t13?,14-;/m0./s1