1-chloranyl-9,10-bis(oxidanylidene)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]anthracene-2-carboxamide

Systemtic Name: 1-chloranyl-9,10-bis(oxidanylidene)-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]anthracene-2-carboxamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-chloro-9,10-dioxo-anthracene-2-carboxamide CAS Name: 1-chloro-9,10-dioxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-2-anthracenecarboxamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-chloro-9,10-dioxoanthracene-2-carboxamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-1-chloro-9,10-diketo-anthracene-2-carboxamide Formula: C27H24ClN2O3+ MolecularWeight: 459.94406

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1NC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C27H23ClN2O3/c28-24-22(11-10-21-23(24)26(32)20-9-5-4-8-19(20)25(21)31)27(33)29-18-12-14-30(15-13-18)16-17-6-2-1-3-7-17/h1-11,18H,12-16H2,(H,29,33)/p+1