1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[2-(5-methyl-2-propan-2-yl-phenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[2-(2-isopropyl-5-methyl-phenoxy)ethyl]piperazine-1,4-diium Formula: C23H34N2O+2 MolecularWeight: 354.52886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H32N2O/c1-19(2)22-10-9-20(3)17-23(22)26-16-15-24-11-13-25(14-12-24)18-21-7-5-4-6-8-21/h4-10,17,19H,11-16,18H2,1-3H3/p+2