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

Systemtic Name: cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-oxidanyl-3-prop-2-enoxy-propyl]azanium Openeye Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-cyclohexyl-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2R)-3-allyloxy-2-hydroxy-propyl]-cyclohexyl-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H37N2O2+ MolecularWeight: 397.57348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(COCC=C)O)C3CCCCC3

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](COCC=C)O)C3CCCCC3

InChI

InChI=1S/C25H36N2O2/c1-3-16-29-20-25(28)19-27(23-12-5-4-6-13-23)18-24-14-9-15-26(24)17-22-11-8-7-10-21(22)2/h3,7-11,14-15,23,25,28H,1,4-6,12-13,16-20H2,2H3/p+1/t25-/m1/s1