(3,5-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (3,5-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (3,5-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (3,5-dimethylphenyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (3,5-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (3,5-dimethylphenyl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C21H27N2O+ MolecularWeight: 323.45188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O/c1-17-14-18(2)16-20(15-17)21(24)23-12-10-22(11-13-23)9-8-19-6-4-3-5-7-19/h3-7,14-16H,8-13H2,1-2H3/p+1