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

Systemtic Name: 2,2,4-trimethyl-7-[4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one Openeye Name: 2,2,4-trimethyl-7-[4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one CAS Name: 2,2,4-trimethyl-7-[1-oxo-4-(4-phenyl-1-piperazinyl)butyl]-4H-1,2-benzoxazin-2-ium-3-one IUPAC Name: 2,2,4-trimethyl-7-[4-(4-phenylpiperazin-1-yl)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one Traditional Name: 2,2,4-trimethyl-7-[4-(4-phenylpiperazino)butanoyl]-4H-1,2-benzoxazin-2-ium-3-one Formula: C25H32N3O3+ MolecularWeight: 422.53988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4)O[N+](C1=O)(C)C

Isomeric SMILES

CC1C2=C(C=C(C=C2)C(=O)CCCN3CCN(CC3)C4=CC=CC=C4)O[N+](C1=O)(C)C

InChI

InChI=1S/C25H32N3O3/c1-19-22-12-11-20(18-24(22)31-28(2,3)25(19)30)23(29)10-7-13-26-14-16-27(17-15-26)21-8-5-4-6-9-21/h4-6,8-9,11-12,18-19H,7,10,13-17H2,1-3H3/q+1