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

Systemtic Name: cyclopropyl-[[1-[(2-methylphenyl)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-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclopropyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(COCC#C)O)C3CC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](COCC#C)O)C3CC3

InChI

InChI=1S/C22H28N2O2/c1-3-13-26-17-22(25)16-24(20-10-11-20)15-21-9-6-12-23(21)14-19-8-5-4-7-18(19)2/h1,4-9,12,20,22,25H,10-11,13-17H2,2H3/p+1/t22-/m1/s1