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

Systemtic Name: cyclohexyl-[(2R)-3-methoxy-2-oxidanyl-propyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclohexyl-[(2R)-2-hydroxy-3-methoxy-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2R)-2-hydroxy-3-methoxypropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2R)-2-hydroxy-3-methoxypropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-[(2R)-2-hydroxy-3-methoxy-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2/c1-19-9-6-7-10-20(19)15-24-14-8-13-22(24)16-25(17-23(26)18-27-2)21-11-4-3-5-12-21/h6-10,13-14,21,23,26H,3-5,11-12,15-18H2,1-2H3/p+1/t23-/m1/s1