(3S)-1-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium

Systemtic Name: (3S)-1-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium Openeye Name: (3S)-1-[[(3R)-6-methoxychroman-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium CAS Name: (3S)-1-[[(3R)-6-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium IUPAC Name: (3S)-1-[[(3R)-6-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium Traditional Name: (3S)-1-[[(3R)-6-methoxychroman-3-yl]methyl]-3-(methoxymethyl)pyrrolidin-1-ium Formula: C17H26NO3+ MolecularWeight: 292.39324

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CC[NH+](C1)CC2CC3=C(C=CC(=C3)OC)OC2

Isomeric SMILES

COC[C@H]1CC[NH+](C1)C[C@H]2CC3=C(C=CC(=C3)OC)OC2

InChI

InChI=1S/C17H25NO3/c1-19-11-13-5-6-18(9-13)10-14-7-15-8-16(20-2)3-4-17(15)21-12-14/h3-4,8,13-14H,5-7,9-12H2,1-2H3/p+1/t13-,14+/m0/s1