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

Systemtic Name: (2R)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Openeye Name: (2R)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine CAS Name: (2R)-6-[(4-ethyl-1-piperazin-4-iumyl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine IUPAC Name: (2R)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Traditional Name: (2R)-6-[(4-ethylpiperazin-4-ium-1-yl)methyl]-2-methyl-3,4-dihydro-2H-1,4-benzoxazine Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)OC(CN3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC3=C(C=C2)O[C@@H](CN3)C

InChI

InChI=1S/C16H25N3O/c1-3-18-6-8-19(9-7-18)12-14-4-5-16-15(10-14)17-11-13(2)20-16/h4-5,10,13,17H,3,6-9,11-12H2,1-2H3/p+1/t13-/m1/s1