(2R)-2-methyl-8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one

Systemtic Name: (2R)-2-methyl-8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one Openeye Name: (2R)-4-allyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one CAS Name: (2R)-2-methyl-8-(1-piperazin-4-iumyl)-4-prop-2-enyl-1,4-benzoxazin-3-one IUPAC Name: (2R)-2-methyl-8-piperazin-4-ium-1-yl-4-prop-2-enyl-1,4-benzoxazin-3-one Traditional Name: (2R)-4-allyl-2-methyl-8-piperazin-4-ium-1-yl-1,4-benzoxazin-3-one Formula: C16H22N3O2+ MolecularWeight: 288.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C(=CC=C2)N3CC[NH2+]CC3)CC=C

Isomeric SMILES

C[C@@H]1C(=O)N(C2=C(O1)C(=CC=C2)N3CC[NH2+]CC3)CC=C

InChI

InChI=1S/C16H21N3O2/c1-3-9-19-14-6-4-5-13(18-10-7-17-8-11-18)15(14)21-12(2)16(19)20/h3-6,12,17H,1,7-11H2,2H3/p+1/t12-/m1/s1