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

Systemtic Name: 2,6-dimethoxy-4-[(4-pentan-3-ylpiperazin-4-ium-1-yl)methyl]phenol Openeye Name: 4-[[4-(1-ethylpropyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 2,6-dimethoxy-4-[(4-pentan-3-yl-1-piperazin-4-iumyl)methyl]phenol IUPAC Name: 2,6-dimethoxy-4-[(4-pentan-3-ylpiperazin-4-ium-1-yl)methyl]phenol Traditional Name: 4-[[4-(1-ethylpropyl)piperazin-4-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C18H31N2O3+ MolecularWeight: 323.45034

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH+]1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCC(CC)[NH+]1CCN(CC1)CC2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C18H30N2O3/c1-5-15(6-2)20-9-7-19(8-10-20)13-14-11-16(22-3)18(21)17(12-14)23-4/h11-12,15,21H,5-10,13H2,1-4H3/p+1