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

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

CCCCCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

CCCCCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

InChI

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