2,2,4-trimethyl-7-[2-methylidene-4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one

Systemtic Name: 2,2,4-trimethyl-7-[2-methylidene-4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 2,2,4-trimethyl-7-[2-methylene-4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 2,2,4-trimethyl-7-[2-methylene-1-oxo-4-(4-phenyl-1-piperazinyl)butyl]-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 2,2,4-trimethyl-7-[2-methylidene-4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 2,2,4-trimethyl-7-[2-[2-(4-phenylpiperazino)ethyl]acryloyl]-4H-1,2-benzoxazin-2-ium-3-one Formula: C26H32N3O3+ MolecularWeight: 434.55058

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)C(=C)CCN3CCN(CC3)C4=CC=CC=C4)O[N+](C1=O)(C)C

Isomeric SMILES

CC1C2=C(C=C(C=C2)C(=O)C(=C)CCN3CCN(CC3)C4=CC=CC=C4)O[N+](C1=O)(C)C

InChI

InChI=1S/C26H32N3O3/c1-19(12-13-27-14-16-28(17-15-27)22-8-6-5-7-9-22)25(30)21-10-11-23-20(2)26(31)29(3,4)32-24(23)18-21/h5-11,18,20H,1,12-17H2,2-4H3/q+1