cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]azanium

Systemtic Name: cyclopropyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]azanium Openeye Name: cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclopropyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-[(1-m-anisylpyrrol-2-yl)methyl]ammonium Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC(COCC#C)O)C3CC3

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](C[C@H](COCC#C)O)C3CC3

InChI

InChI=1S/C22H28N2O3/c1-3-12-27-17-21(25)16-24(19-9-10-19)15-20-7-5-11-23(20)14-18-6-4-8-22(13-18)26-2/h1,4-8,11,13,19,21,25H,9-10,12,14-17H2,2H3/p+1/t21-/m1/s1