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

Systemtic Name: (3,4-dimethoxyphenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Openeye Name: (3,4-dimethoxyphenyl)methyl-[(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]ammonium CAS Name: (3,4-dimethoxyphenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]ammonium IUPAC Name: (3,4-dimethoxyphenyl)methyl-[(3R)-6-methyl-3-(4-propan-2-yloxyphenyl)heptyl]azanium Traditional Name: [(3R)-3-(4-isopropoxyphenyl)-6-methyl-heptyl]-veratryl-ammonium Formula: C26H40NO3+ MolecularWeight: 414.6007

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H39NO3/c1-19(2)7-9-23(22-10-12-24(13-11-22)30-20(3)4)15-16-27-18-21-8-14-25(28-5)26(17-21)29-6/h8,10-14,17,19-20,23,27H,7,9,15-16,18H2,1-6H3/p+1/t23-/m1/s1