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

Systemtic Name: (2S)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-6-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-6-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=CC3=C(C=C2)OC(CN3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-3-15-6-4-5-9-19(15)12-14-7-8-17-16(10-14)18-11-13(2)20-17/h7-8,10,13,15,18H,3-6,9,11-12H2,1-2H3/p+1/t13-,15-/m0/s1