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

Systemtic Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4-propyl-1,4-benzoxazin-3-one Openeye Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4-propyl-1,4-benzoxazin-3-one CAS Name: (2S)-2-methyl-8-(1-piperazin-4-iumyl)-4-propyl-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4-propyl-1,4-benzoxazin-3-one Traditional Name: (2S)-2-methyl-8-piperazin-4-ium-1-yl-4-propyl-1,4-benzoxazin-3-one Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=CC=C2)N3CC[NH2+]CC3)OC(C1=O)C

Isomeric SMILES

CCCN1C2=C(C(=CC=C2)N3CC[NH2+]CC3)O[C@H](C1=O)C

InChI

InChI=1S/C16H23N3O2/c1-3-9-19-14-6-4-5-13(18-10-7-17-8-11-18)15(14)21-12(2)16(19)20/h4-6,12,17H,3,7-11H2,1-2H3/p+1/t12-/m0/s1