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

Systemtic Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2,6-dimethoxy-4-[[4-(m-tolylmethyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 2,6-dimethoxy-4-[[4-(3-methylbenzyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC3=CC(=C(C(=C3)OC)O)OC

InChI

InChI=1S/C21H28N2O3/c1-16-5-4-6-17(11-16)14-22-7-9-23(10-8-22)15-18-12-19(25-2)21(24)20(13-18)26-3/h4-6,11-13,24H,7-10,14-15H2,1-3H3/p+1