1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperazin-4-ium Formula: C17H29N2O+ MolecularWeight: 277.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCN2CC[NH2+]CC2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCN2CC[NH2+]CC2

InChI

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