[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium

Systemtic Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Openeye Name: (4-isopropoxyphenyl)methyl-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(4-propan-2-yloxyphenyl)methyl]ammonium IUPAC Name: [(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]-[(4-propan-2-yloxyphenyl)methyl]azanium Traditional Name: (4-isopropoxybenzyl)-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium Formula: C27H42NO2+ MolecularWeight: 412.62788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(CC[NH2+]CC1=CC=C(C=C1)OC(C)C)C2=CC=C(C=C2)OC(C)C

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC=C(C=C1)OC(C)C)C2=CC=C(C=C2)OC(C)C

InChI

InChI=1S/C27H41NO2/c1-20(2)7-10-25(24-11-15-27(16-12-24)30-22(5)6)17-18-28-19-23-8-13-26(14-9-23)29-21(3)4/h8-9,11-16,20-22,25,28H,7,10,17-19H2,1-6H3/p+1/t25-/m1/s1