1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-phenylpropyl)piperazin-4-ium Formula: C21H29N2+ MolecularWeight: 309.46836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H28N2/c1-18-10-11-19(2)21(17-18)23-15-13-22(14-16-23)12-6-9-20-7-4-3-5-8-20/h3-5,7-8,10-11,17H,6,9,12-16H2,1-2H3/p+1