(2R)-4-ethanoyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-ethanoyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-acetyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-acetyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-acetyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-acetyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H26N5O3+ MolecularWeight: 396.46284

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC(=O)N1C[C@@H](OC2=CC=CC=C21)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N5O3/c1-15(27)26-14-19(29-18-6-4-3-5-17(18)26)21(28)23-16-7-8-20(22-13-16)25-11-9-24(2)10-12-25/h3-8,13,19H,9-12,14H2,1-2H3,(H,23,28)/p+1/t19-/m1/s1