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

Systemtic Name: (2S)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-2-[(4-methyl-1,4-diazepan-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Formula: C15H24N3O+ MolecularWeight: 262.37056

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)CC2CNC3=CC=CC=C3O2

Isomeric SMILES

C[NH+]1CCCN(CC1)C[C@@H]2CNC3=CC=CC=C3O2

InChI

InChI=1S/C15H23N3O/c1-17-7-4-8-18(10-9-17)12-13-11-16-14-5-2-3-6-15(14)19-13/h2-3,5-6,13,16H,4,7-12H2,1H3/p+1/t13-/m0/s1