(2S)-2-methyl-4-(2-methylpropyl)-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one

Systemtic Name: (2S)-2-methyl-4-(2-methylpropyl)-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Openeye Name: (2S)-4-isobutyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one CAS Name: (2S)-2-methyl-4-(2-methylpropyl)-8-(1-piperazin-4-iumyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-methyl-4-(2-methylpropyl)-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-isobutyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Formula: C17H26N3O2+ MolecularWeight: 304.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C(=CC=C2)N3CC[NH2+]CC3)CC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C(=CC=C2)N3CC[NH2+]CC3)CC(C)C

InChI

InChI=1S/C17H25N3O2/c1-12(2)11-20-15-6-4-5-14(19-9-7-18-8-10-19)16(15)22-13(3)17(20)21/h4-6,12-13,18H,7-11H2,1-3H3/p+1/t13-/m0/s1