(4-dimethylaminophenyl)methyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3S)-4-methyl-3-(4-propan-2-yloxyphenyl)pentyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3S)-3-(4-isopropoxyphenyl)-4-methyl-pentyl]ammonium Formula: C24H37N2O+ MolecularWeight: 369.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O/c1-18(2)24(21-9-13-23(14-10-21)27-19(3)4)15-16-25-17-20-7-11-22(12-8-20)26(5)6/h7-14,18-19,24-25H,15-17H2,1-6H3/p+1/t24-/m0/s1