4-butyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one

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

CCCCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

CCCCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

InChI

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