6-[(1-butylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol

Systemtic Name: 6-[(1-butylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol Openeye Name: 6-[(1-butylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol CAS Name: 6-[(1-butyl-1-piperazin-1-iumyl)methyl]-2,3-dimethoxyphenol IUPAC Name: 6-[(1-butylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxyphenol Traditional Name: 6-[(1-butylpiperazin-1-ium-1-yl)methyl]-2,3-dimethoxy-phenol Formula: C17H29N2O3+ MolecularWeight: 309.42376

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCNCC1)CC2=C(C(=C(C=C2)OC)OC)O

Isomeric SMILES

CCCC[N+]1(CCNCC1)CC2=C(C(=C(C=C2)OC)OC)O

InChI

InChI=1S/C17H28N2O3/c1-4-5-10-19(11-8-18-9-12-19)13-14-6-7-15(21-2)17(22-3)16(14)20/h6-7,18H,4-5,8-13H2,1-3H3/p+1