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

Systemtic Name: 4-(phenylmethyl)-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Openeye Name: 4-benzyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one CAS Name: 4-(phenylmethyl)-8-(1-piperazin-4-iumyl)-1,4-benzoxazin-3-one IUPAC Name: 4-benzyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Traditional Name: 4-benzyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Formula: C19H22N3O2+ MolecularWeight: 324.39688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=CC3=C2OCC(=O)N3CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=CC3=C2OCC(=O)N3CC4=CC=CC=C4

InChI

InChI=1S/C19H21N3O2/c23-18-14-24-19-16(21-11-9-20-10-12-21)7-4-8-17(19)22(18)13-15-5-2-1-3-6-15/h1-8,20H,9-14H2/p+1