[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2S)-2-oxidanylhex-5-enyl]azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2S)-2-oxidanylhex-5-enyl]azanium Openeye Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2S)-2-hydroxyhex-5-enyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-cyclohexyl-[(2S)-2-hydroxyhex-5-enyl]ammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclohexyl-[(2S)-2-hydroxyhex-5-enyl]azanium Traditional Name: [1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl-cyclohexyl-[(2S)-2-hydroxyhex-5-enyl]ammonium Formula: C28H43N2O+ MolecularWeight: 423.65382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](C[C@H](CCC=C)O)C3CCCCC3

InChI

InChI=1S/C28H42N2O/c1-5-6-14-27(31)22-30(25-11-8-7-9-12-25)21-26-13-10-19-29(26)20-23-15-17-24(18-16-23)28(2,3)4/h5,10,13,15-19,25,27,31H,1,6-9,11-12,14,20-22H2,2-4H3/p+1/t27-/m0/s1