[4-(diphenylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone chloride

Systemtic Name: [4-(diphenylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone chloride Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride CAS Name: [4-(diphenylmethyl)-1-piperazin-4-iumyl]-(9H-xanthen-9-yl)methanone chloride IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone chloride Formula: C31H29ClN2O2 MolecularWeight: 497.02716

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46.[Cl-]

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)C4C5=CC=CC=C5OC6=CC=CC=C46.[Cl-]

InChI

InChI=1S/C31H28N2O2.ClH/c34-31(29-25-15-7-9-17-27(25)35-28-18-10-8-16-26(28)29)33-21-19-32(20-22-33)30(23-11-3-1-4-12-23)24-13-5-2-6-14-24;/h1-18,29-30H,19-22H2;1H