[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]azanium

Systemtic Name: [(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-[[4-(3-methyl-3-oxidanyl-but-1-ynyl)phenyl]methyl]azanium Openeye Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)phenyl]methyl-[(3S)-8-methoxychroman-3-yl]ammonium CAS Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]ammonium IUPAC Name: [4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]methyl-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]azanium Traditional Name: [4-(3-hydroxy-3-methyl-but-1-ynyl)benzyl]-[(3S)-8-methoxychroman-3-yl]ammonium Formula: C22H26NO3+ MolecularWeight: 352.44674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(C=C1)C[NH2+]C2CC3=C(C(=CC=C3)OC)OC2)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(C=C1)C[NH2+][C@H]2CC3=C(C(=CC=C3)OC)OC2)O

InChI

InChI=1S/C22H25NO3/c1-22(2,24)12-11-16-7-9-17(10-8-16)14-23-19-13-18-5-4-6-20(25-3)21(18)26-15-19/h4-10,19,23-24H,13-15H2,1-3H3/p+1/t19-/m0/s1