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

Systemtic Name: cyclohexyl-[(2S)-3-methyl-2-oxidanyl-butyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Openeye Name: cyclohexyl-[(2S)-2-hydroxy-3-methyl-butyl]-[[1-(o-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: cyclohexyl-[(2S)-2-hydroxy-3-methylbutyl]-[[1-[(2-methylphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: cyclohexyl-[(2S)-2-hydroxy-3-methylbutyl]-[[1-[(2-methylphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: cyclohexyl-[(2S)-2-hydroxy-3-methyl-butyl]-[[1-(2-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C24H37N2O+ MolecularWeight: 369.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O/c1-19(2)24(27)18-26(22-12-5-4-6-13-22)17-23-14-9-15-25(23)16-21-11-8-7-10-20(21)3/h7-11,14-15,19,22,24,27H,4-6,12-13,16-18H2,1-3H3/p+1/t24-/m1/s1