(2S)-2-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: (2S)-2-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-2-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-2-methyl-6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-2-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-2-methyl-6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC3=C(C=C2)OC(CN3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C2)O[C@H](CN3)C

InChI

InChI=1S/C16H24N2O/c1-12-4-3-7-18(10-12)11-14-5-6-16-15(8-14)17-9-13(2)19-16/h5-6,8,12-13,17H,3-4,7,9-11H2,1-2H3/p+1/t12-,13-/m0/s1