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

Systemtic Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: 3-(2-ketochromen-3-yl)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide Formula: C27H26N3O3+ MolecularWeight: 440.51364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O3/c1-29-13-15-30(16-14-29)23-11-9-22(10-12-23)28-26(31)21-7-4-6-19(17-21)24-18-20-5-2-3-8-25(20)33-27(24)32/h2-12,17-18H,13-16H2,1H3,(H,28,31)/p+1