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

Systemtic Name: (2S)-2-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2S)-2-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2S)-2-methyl-6-[(4-methyl-1-piperazin-4-iumyl)methyl]-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2S)-2-methyl-6-[(4-methylpiperazin-4-ium-1-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2S)-2-methyl-6-[(4-methylpiperazin-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:

CC1CNC2=C(O1)C=CC(=C2)CN3CC[NH+](CC3)C

Isomeric SMILES

C[C@H]1CNC2=C(O1)C=CC(=C2)CN3CC[NH+](CC3)C

InChI

InChI=1S/C15H23N3O/c1-12-10-16-14-9-13(3-4-15(14)19-12)11-18-7-5-17(2)6-8-18/h3-4,9,12,16H,5-8,10-11H2,1-2H3/p+1/t12-/m0/s1