1-methyl-4-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]piperazine-1,4-diium

Systemtic Name: 1-methyl-4-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]piperazine-1,4-diium Openeye Name: 1-[(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-methyl-4-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]piperazine-1,4-diium IUPAC Name: 1-methyl-4-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]piperazine-1,4-diium Traditional Name: 1-[(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]-4-methyl-piperazine-1,4-diium Formula: C20H36N2O+2 MolecularWeight: 320.51264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC[NH+]1CC[NH+](CC1)C)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC(C)[C@H](CC[NH+]1CC[NH+](CC1)C)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C20H34N2O/c1-16(2)20(10-11-22-14-12-21(5)13-15-22)18-6-8-19(9-7-18)23-17(3)4/h6-9,16-17,20H,10-15H2,1-5H3/p+2/t20-/m0/s1