(4-dimethylaminophenyl)methyl-[(3R)-3-(furan-2-yl)-6-methyl-heptyl]azanium

Systemtic Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(furan-2-yl)-6-methyl-heptyl]azanium Openeye Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(2-furyl)-6-methyl-heptyl]ammonium CAS Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(2-furanyl)-6-methylheptyl]ammonium IUPAC Name: (4-dimethylaminophenyl)methyl-[(3R)-3-(furan-2-yl)-6-methylheptyl]azanium Traditional Name: [4-(dimethylamino)benzyl]-[(3R)-3-(2-furyl)-6-methyl-heptyl]ammonium Formula: C21H33N2O+ MolecularWeight: 329.49952

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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=CO2

Isomeric SMILES

CC(C)CC[C@H](CC[NH2+]CC1=CC=C(C=C1)N(C)C)C2=CC=CO2

InChI

InChI=1S/C21H32N2O/c1-17(2)7-10-19(21-6-5-15-24-21)13-14-22-16-18-8-11-20(12-9-18)23(3)4/h5-6,8-9,11-12,15,17,19,22H,7,10,13-14,16H2,1-4H3/p+1/t19-/m1/s1