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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CCC3=CC=CC=C3

InChI

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