[4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone

Systemtic Name: [4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Openeye Name: (4-cinnamylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone CAS Name: [4-(3-phenylprop-2-enyl)-1-piperazin-4-iumyl]-(9H-xanthen-9-yl)methanone IUPAC Name: [4-(3-phenylprop-2-enyl)piperazin-4-ium-1-yl]-(9H-xanthen-9-yl)methanone Traditional Name: (4-cinnamylpiperazin-4-ium-1-yl)-(9H-xanthen-9-yl)methanone Formula: C27H27N2O2+ MolecularWeight: 411.51548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O2/c30-27(26-22-12-4-6-14-24(22)31-25-15-7-5-13-23(25)26)29-19-17-28(18-20-29)16-8-11-21-9-2-1-3-10-21/h1-15,26H,16-20H2/p+1