6-chloranyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]chromene-2-carboxamide

Systemtic Name: 6-chloranyl-4-oxidanylidene-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]chromene-2-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-chloro-4-oxo-chromene-2-carboxamide CAS Name: 6-chloro-4-oxo-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]-1-benzopyran-2-carboxamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-chloro-4-oxochromene-2-carboxamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-6-chloro-4-keto-chromene-2-carboxamide Formula: C27H25ClN3O3+ MolecularWeight: 474.9587

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=O)C5=C(O4)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CC(=O)C5=C(O4)C=CC(=C5)Cl

InChI

InChI=1S/C27H24ClN3O3/c28-20-6-11-25-23(16-20)24(32)17-26(34-25)27(33)29-21-7-9-22(10-8-21)31-14-12-30(13-15-31)18-19-4-2-1-3-5-19/h1-11,16-17H,12-15,18H2,(H,29,33)/p+1