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

Systemtic Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 6-[[(2S)-2-ethylpiperidin-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:

CCC1CCCC[NH+]1CC2=CC3=C(C=C2)OCCN3

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=CC3=C(C=C2)OCCN3

InChI

InChI=1S/C16H24N2O/c1-2-14-5-3-4-9-18(14)12-13-6-7-16-15(11-13)17-8-10-19-16/h6-7,11,14,17H,2-5,8-10,12H2,1H3/p+1/t14-/m0/s1