2-(3,4-dimethoxyphenyl)ethyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[(1S)-1,3-dimethyl-3-(5-methyl-2-furyl)butyl]ammonium CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-4-methyl-4-(5-methyl-2-furanyl)pentan-2-yl]ammonium IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[(2S)-4-methyl-4-(5-methylfuran-2-yl)pentan-2-yl]azanium Traditional Name: [(1S)-1,3-dimethyl-3-(5-methyl-2-furyl)butyl]-homoveratryl-ammonium Formula: C21H32NO3+ MolecularWeight: 346.48368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C(C)(C)CC(C)[NH2+]CCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=CC=C(O1)C(C)(C)C[C@H](C)[NH2+]CCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C21H31NO3/c1-15(14-21(3,4)20-10-7-16(2)25-20)22-12-11-17-8-9-18(23-5)19(13-17)24-6/h7-10,13,15,22H,11-12,14H2,1-6H3/p+1/t15-/m0/s1