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

Systemtic Name: N-[3-chloranyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxidanylidenechromen-3-yl)benzamide Openeye Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide CAS Name: N-[3-chloro-4-(4-methyl-1-piperazin-4-iumyl)phenyl]-3-(2-oxo-1-benzopyran-3-yl)benzamide IUPAC Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-oxochromen-3-yl)benzamide Traditional Name: N-[3-chloro-4-(4-methylpiperazin-4-ium-1-yl)phenyl]-3-(2-ketochromen-3-yl)benzamide Formula: C27H25ClN3O3+ MolecularWeight: 474.9587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H24ClN3O3/c1-30-11-13-31(14-12-30)24-10-9-21(17-23(24)28)29-26(32)20-7-4-6-18(15-20)22-16-19-5-2-3-8-25(19)34-27(22)33/h2-10,15-17H,11-14H2,1H3,(H,29,32)/p+1