[(3S)-1-[(3,4-dimethoxy-5-prop-2-enyl-phenyl)methyl]pyrrolidin-1-ium-3-yl]methanol

Systemtic Name: [(3S)-1-[(3,4-dimethoxy-5-prop-2-enyl-phenyl)methyl]pyrrolidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(3-allyl-4,5-dimethoxy-phenyl)methyl]pyrrolidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]-3-pyrrolidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrrolidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-(3-allyl-4,5-dimethoxy-benzyl)pyrrolidin-1-ium-3-yl]methanol Formula: C17H26NO3+ MolecularWeight: 292.39324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)CC=C)C[NH+]2CCC(C2)CO

Isomeric SMILES

COC1=CC(=CC(=C1OC)CC=C)C[NH+]2CC[C@@H](C2)CO

InChI

InChI=1S/C17H25NO3/c1-4-5-15-8-14(9-16(20-2)17(15)21-3)11-18-7-6-13(10-18)12-19/h4,8-9,13,19H,1,5-7,10-12H2,2-3H3/p+1/t13-/m0/s1