2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol

Systemtic Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)-1-piperazin-4-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(3-phenylpropyl)piperazin-4-ium-1-yl]methyl]phenol Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)CN2CC[NH+](CC2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O3/c1-26-20-15-19(16-21(27-2)22(20)25)17-24-13-11-23(12-14-24)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,15-16,25H,6,9-14,17H2,1-2H3/p+1