2-[di(propan-2-yl)amino]ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium

Systemtic Name: 2-[di(propan-2-yl)amino]ethyl-[(3-methoxy-4-oxidanyl-phenyl)methyl]azanium Openeye Name: 2-(diisopropylamino)ethyl-[(4-hydroxy-3-methoxy-phenyl)methyl]ammonium CAS Name: 2-[di(propan-2-yl)amino]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]ammonium IUPAC Name: 2-[di(propan-2-yl)amino]ethyl-[(4-hydroxy-3-methoxyphenyl)methyl]azanium Traditional Name: 2-(diisopropylamino)ethyl-vanillyl-ammonium Formula: C16H29N2O2+ MolecularWeight: 281.41366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H28N2O2/c1-12(2)18(13(3)4)9-8-17-11-14-6-7-15(19)16(10-14)20-5/h6-7,10,12-13,17,19H,8-9,11H2,1-5H3/p+1