(2S)-2-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine

Systemtic Name: (2S)-2-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-2-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-2-methyl-6-(1-pyrrolidin-1-iumylmethyl)-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-2-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-2-methyl-6-(pyrrolidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-1,4-benzoxazine Formula: C14H21N2O+ MolecularWeight: 233.32934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(O1)C=CC(=C2)C[NH+]3CCCC3

Isomeric SMILES

C[C@H]1CNC2=C(O1)C=CC(=C2)C[NH+]3CCCC3

InChI

InChI=1S/C14H20N2O/c1-11-9-15-13-8-12(4-5-14(13)17-11)10-16-6-2-3-7-16/h4-5,8,11,15H,2-3,6-7,9-10H2,1H3/p+1/t11-/m0/s1