1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one

Systemtic Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-4-[(4-nitrophenyl)amino]butan-1-one Openeye Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-4-(4-nitroanilino)butan-1-one CAS Name: 1-[4-[(5-methyl-3-isoxazolyl)methyl]-1-piperazin-4-iumyl]-4-(4-nitroanilino)-1-butanone IUPAC Name: 1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-4-ium-1-yl]-4-(4-nitroanilino)butan-1-one Traditional Name: 1-[4-[(5-methylisoxazol-3-yl)methyl]piperazin-4-ium-1-yl]-4-(4-nitroanilino)butan-1-one Formula: C19H26N5O4+ MolecularWeight: 388.44084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)C(=O)CCCNC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H25N5O4/c1-15-13-17(21-28-15)14-22-9-11-23(12-10-22)19(25)3-2-8-20-16-4-6-18(7-5-16)24(26)27/h4-7,13,20H,2-3,8-12,14H2,1H3/p+1