8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one

Systemtic Name: 8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: 4-allyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one CAS Name: 8-(1-piperazin-4-iumyl)-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: 8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: 4-allyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Formula: C15H20N3O2+ MolecularWeight: 274.3382

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

Isomeric SMILES

C=CCN1C(=O)COC2=C1C=CC=C2N3CC[NH2+]CC3

InChI

InChI=1S/C15H19N3O2/c1-2-8-18-13-5-3-4-12(15(13)20-11-14(18)19)17-9-6-16-7-10-17/h2-5,16H,1,6-11H2/p+1