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

Systemtic Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide CAS Name: N-[2-(4-methyl-1-piperazin-4-iumyl)phenyl]-4-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[2-(4-methylpiperazin-4-ium-1-yl)phenyl]-4-(2-oxochromen-3-yl)benzamide Traditional Name: 4-(2-ketochromen-3-yl)-N-[2-(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=CC=C2NC(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC=CC=C2NC(=O)C3=CC=C(C=C3)C4=CC5=CC=CC=C5OC4=O

InChI

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