1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazin-4-ium

Systemtic Name: 1-[4-(5-methyl-2-propan-2-yl-phenoxy)but-2-ynyl]piperazin-4-ium Openeye Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperazin-4-ium CAS Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazin-4-ium IUPAC Name: 1-[4-(5-methyl-2-propan-2-ylphenoxy)but-2-ynyl]piperazin-4-ium Traditional Name: 1-[4-(2-isopropyl-5-methyl-phenoxy)but-2-ynyl]piperazin-4-ium Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC#CCN2CC[NH2+]CC2

InChI

InChI=1S/C18H26N2O/c1-15(2)17-7-6-16(3)14-18(17)21-13-5-4-10-20-11-8-19-9-12-20/h6-7,14-15,19H,8-13H2,1-3H3/p+1