N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3-(3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(3-keto-1,4-benzoxazin-4-yl)propionamide Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=C(C=C(C=C2)NC(=O)CCN3C(=O)COC4=CC=CC=C43)C

InChI

InChI=1S/C24H30N4O3/c1-3-26-12-14-27(15-13-26)20-9-8-19(16-18(20)2)25-23(29)10-11-28-21-6-4-5-7-22(21)31-17-24(28)30/h4-9,16H,3,10-15,17H2,1-2H3,(H,25,29)/p+1