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

Systemtic Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: 6-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: 6-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CC3=C(C=C2)OCCN3

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CC3=C(C=C2)OCCN3

InChI

InChI=1S/C15H22N2O/c1-12-3-2-7-17(10-12)11-13-4-5-15-14(9-13)16-6-8-18-15/h4-5,9,12,16H,2-3,6-8,10-11H2,1H3/p+1/t12-/m0/s1