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

Systemtic Name: (2S)-6-(azepan-1-ium-1-ylmethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-6-(azepan-1-ium-1-ylmethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-6-(1-azepan-1-iumylmethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-6-(azepan-1-ium-1-ylmethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-6-(azepan-1-ium-1-ylmethyl)-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNC2=C(O1)C=CC(=C2)C[NH+]3CCCCCC3

Isomeric SMILES

C[C@H]1CNC2=C(O1)C=CC(=C2)C[NH+]3CCCCCC3

InChI

InChI=1S/C16H24N2O/c1-13-11-17-15-10-14(6-7-16(15)19-13)12-18-8-4-2-3-5-9-18/h6-7,10,13,17H,2-5,8-9,11-12H2,1H3/p+1/t13-/m0/s1