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

Systemtic Name: [1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-prop-2-enylazanium Traditional Name: allyl-[(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=C)CC(COCC#C)O

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2/c1-4-12-23(17-22(25)18-26-14-5-2)16-21-11-8-13-24(21)15-20-10-7-6-9-19(20)3/h2,4,6-11,13,22,25H,1,12,14-18H2,3H3/p+1/t22-/m1/s1