N-(2,4-dimethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(2,4-dimethylphenyl)-4-phenethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(2,4-dimethylphenyl)-4-phenethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-4-phenethyl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O/c1-17-8-9-20(18(2)16-17)22-21(25)24-14-12-23(13-15-24)11-10-19-6-4-3-5-7-19/h3-9,16H,10-15H2,1-2H3,(H,22,25)/p+1