(3S)-8-methoxy-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-2H-chromen-3-amine

Systemtic Name: (3S)-8-methoxy-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-2H-chromen-3-amine Openeye Name: (3S)-8-methoxy-N-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]chroman-3-amine CAS Name: (3S)-8-methoxy-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-2H-1-benzopyran-3-amine IUPAC Name: (3S)-8-methoxy-N-[[3-(3-methylphenyl)-1H-imidazol-3-ium-2-yl]methyl]-3,4-dihydro-2H-chromen-3-amine Traditional Name: [(3S)-8-methoxychroman-3-yl]-[[3-(m-tolyl)-1H-imidazol-3-ium-2-yl]methyl]amine Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CNC3CC4=C(C(=CC=C4)OC)OC3

Isomeric SMILES

CC1=CC(=CC=C1)[N+]2=C(NC=C2)CN[C@H]3CC4=C(C(=CC=C4)OC)OC3

InChI

InChI=1S/C21H23N3O2/c1-15-5-3-7-18(11-15)24-10-9-22-20(24)13-23-17-12-16-6-4-8-19(25-2)21(16)26-14-17/h3-11,17,23H,12-14H2,1-2H3/p+1/t17-/m0/s1