(4-methylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (4-methylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (4-phenethylpiperazin-4-ium-1-yl)-(p-tolyl)methanone CAS Name: (4-methylphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (4-methylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (4-phenethylpiperazin-4-ium-1-yl)-(p-tolyl)methanone Formula: C20H25N2O+ MolecularWeight: 309.4253

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O/c1-17-7-9-19(10-8-17)20(23)22-15-13-21(14-16-22)12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3/p+1