1-(2,5-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[(3-phenoxyphenyl)methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-(3-phenoxybenzyl)piperazin-4-ium Formula: C25H29N2O+ MolecularWeight: 373.51056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H28N2O/c1-20-11-12-21(2)25(17-20)27-15-13-26(14-16-27)19-22-7-6-10-24(18-22)28-23-8-4-3-5-9-23/h3-12,17-18H,13-16,19H2,1-2H3/p+1