(3S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine

Systemtic Name: (3S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-1-(phenylmethyl)pyrrolidin-1-ium-3-amine Openeye Name: (3S)-1-benzyl-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]pyrrolidin-1-ium-3-amine CAS Name: (3S)-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-1-(phenylmethyl)-3-pyrrolidin-1-iumamine IUPAC Name: (3S)-1-benzyl-N-[[(2S)-5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]pyrrolidin-1-ium-3-amine Traditional Name: [(3S)-1-benzylpyrrolidin-1-ium-3-yl]-[[(2S)-5-methoxy-2-methyl-coumaran-6-yl]methyl]amine Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC(=C(C=C2O1)CNC3CC[NH+](C3)CC4=CC=CC=C4)OC

Isomeric SMILES

C[C@H]1CC2=CC(=C(C=C2O1)CN[C@H]3CC[NH+](C3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C22H28N2O2/c1-16-10-18-11-21(25-2)19(12-22(18)26-16)13-23-20-8-9-24(15-20)14-17-6-4-3-5-7-17/h3-7,11-12,16,20,23H,8-10,13-15H2,1-2H3/p+1/t16-,20-/m0/s1