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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

CC(C)CN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O2/c1-12(2)10-19-14-5-3-4-13(16(14)21-11-15(19)20)18-8-6-17-7-9-18/h3-5,12,17H,6-11H2,1-2H3/p+1