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

Systemtic Name: cyclohexyl-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanyl-3-phenyl-propyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-phenyl-propyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-phenylpropyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-phenylpropyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-phenyl-propyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C28H37N2O+ MolecularWeight: 417.60618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C=CC=C2C[NH+](CC(CC3=CC=CC=C3)O)C4CCCCC4

Isomeric SMILES

CC1=CC=CC=C1CN2C=CC=C2C[NH+](C[C@H](CC3=CC=CC=C3)O)C4CCCCC4

InChI

InChI=1S/C28H36N2O/c1-23-11-8-9-14-25(23)20-29-18-10-17-27(29)21-30(26-15-6-3-7-16-26)22-28(31)19-24-12-4-2-5-13-24/h2,4-5,8-14,17-18,26,28,31H,3,6-7,15-16,19-22H2,1H3/p+1/t28-/m0/s1