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

Systemtic Name: (2S)-4-butyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Openeye Name: (2S)-4-butyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one CAS Name: (2S)-4-butyl-2-methyl-8-(1-piperazin-4-iumyl)-1,4-benzoxazin-3-one IUPAC Name: (2S)-4-butyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Traditional Name: (2S)-4-butyl-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:

CCCCN1C2=C(C(=CC=C2)N3CC[NH2+]CC3)OC(C1=O)C

Isomeric SMILES

CCCCN1C2=C(C(=CC=C2)N3CC[NH2+]CC3)O[C@H](C1=O)C

InChI

InChI=1S/C17H25N3O2/c1-3-4-10-20-15-7-5-6-14(19-11-8-18-9-12-19)16(15)22-13(2)17(20)21/h5-7,13,18H,3-4,8-12H2,1-2H3/p+1/t13-/m0/s1