1-ethyl-4-[[4-(2-methylpropoxy)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-ethyl-4-[[4-(2-methylpropoxy)phenyl]methyl]piperazin-1-ium Openeye Name: 1-ethyl-4-[(4-isobutoxyphenyl)methyl]piperazin-1-ium CAS Name: 1-ethyl-4-[[4-(2-methylpropoxy)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-ethyl-4-[[4-(2-methylpropoxy)phenyl]methyl]piperazin-1-ium Traditional Name: 1-ethyl-4-(4-isobutoxybenzyl)piperazin-1-ium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)OCC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)CC2=CC=C(C=C2)OCC(C)C

InChI

InChI=1S/C17H28N2O/c1-4-18-9-11-19(12-10-18)13-16-5-7-17(8-6-16)20-14-15(2)3/h5-8,15H,4,9-14H2,1-3H3/p+1