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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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