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

Systemtic Name: [4-(phenylmethyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone CAS Name: [4-(phenylmethyl)-1-piperazin-4-iumyl]-(9H-xanthen-9-yl)methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone Formula: C25H25N2O2+ MolecularWeight: 385.4782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C25H24N2O2/c28-25(27-16-14-26(15-17-27)18-19-8-2-1-3-9-19)24-20-10-4-6-12-22(20)29-23-13-7-5-11-21(23)24/h1-13,24H,14-18H2/p+1