N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide

Systemtic Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C28H27N3O3/c1-2-30-14-16-31(17-15-30)24-12-10-23(11-13-24)29-27(32)22-8-5-7-20(18-22)25-19-21-6-3-4-9-26(21)34-28(25)33/h3-13,18-19H,2,14-17H2,1H3,(H,29,32)/p+1