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

Systemtic Name: 1-[3-(4-bromanyl-2-propan-2-yl-phenoxy)propyl]-4-methyl-piperazin-4-ium Openeye Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-methyl-piperazin-4-ium CAS Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[3-(4-bromo-2-propan-2-ylphenoxy)propyl]-4-methylpiperazin-4-ium Traditional Name: 1-[3-(4-bromo-2-isopropyl-phenoxy)propyl]-4-methyl-piperazin-4-ium Formula: C17H28BrN2O+ MolecularWeight: 356.32102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1)Br)OCCCN2CC[NH+](CC2)C

Isomeric SMILES

CC(C)C1=C(C=CC(=C1)Br)OCCCN2CC[NH+](CC2)C

InChI

InChI=1S/C17H27BrN2O/c1-14(2)16-13-15(18)5-6-17(16)21-12-4-7-20-10-8-19(3)9-11-20/h5-6,13-14H,4,7-12H2,1-3H3/p+1