[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-(2-methyl-1-oxidanyl-propan-2-yl)azanium Openeye Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-cyclohexyl-(1-hydroxy-2-methylpropan-2-yl)ammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-(1-hydroxy-2-methylpropan-2-yl)azanium Traditional Name: [1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl-cyclohexyl-(2-hydroxy-1,1-dimethyl-ethyl)ammonium Formula: C26H41N2O+ MolecularWeight: 397.61654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](C3CCCCC3)C(C)(C)CO

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](C3CCCCC3)C(C)(C)CO

InChI

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