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

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium Formula: C26H41N2O+ MolecularWeight: 397.61654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O/c1-20(2)7-10-24(23-11-15-26(16-12-23)29-21(3)4)17-18-27-19-22-8-13-25(14-9-22)28(5)6/h8-9,11-16,20-21,24,27H,7,10,17-19H2,1-6H3/p+1/t24-/m1/s1