1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium

Systemtic Name: 1-[3-(5-methyl-2-propan-2-yl-phenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium Openeye Name: 1-benzyl-4-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperazine-1,4-diium CAS Name: 1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]-4-(phenylmethyl)piperazine-1,4-diium IUPAC Name: 1-benzyl-4-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]piperazine-1,4-diium Traditional Name: 1-benzyl-4-[3-(2-isopropyl-5-methyl-phenoxy)propyl]piperazine-1,4-diium Formula: C24H36N2O+2 MolecularWeight: 368.55544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O/c1-20(2)23-11-10-21(3)18-24(23)27-17-7-12-25-13-15-26(16-14-25)19-22-8-5-4-6-9-22/h4-6,8-11,18,20H,7,12-17,19H2,1-3H3/p+2