[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2R)-2-oxidanylbutyl]azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2R)-2-oxidanylbutyl]azanium Openeye Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2R)-2-hydroxybutyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-cyclohexyl-[(2R)-2-hydroxybutyl]ammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2R)-2-hydroxybutyl]azanium Traditional Name: [1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl-cyclohexyl-[(2R)-2-hydroxybutyl]ammonium Formula: C26H41N2O+ MolecularWeight: 397.61654

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C[NH+](CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)C3CCCCC3)O

Isomeric SMILES

CC[C@H](C[NH+](CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C)C3CCCCC3)O

InChI

InChI=1S/C26H40N2O/c1-5-25(29)20-28(23-10-7-6-8-11-23)19-24-12-9-17-27(24)18-21-13-15-22(16-14-21)26(2,3)4/h9,12-17,23,25,29H,5-8,10-11,18-20H2,1-4H3/p+1/t25-/m1/s1