[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2S)-2-methyl-1-oxidanyl-but-3-en-2-yl]-prop-2-enyl-azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2S)-2-methyl-1-oxidanyl-but-3-en-2-yl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-[(1S)-1-(hydroxymethyl)-1-methyl-allyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-[(2S)-1-hydroxy-2-methylbut-3-en-2-yl]-prop-2-enylammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2S)-1-hydroxy-2-methylbut-3-en-2-yl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]-[(1S)-1-methyl-1-methylol-allyl]ammonium Formula: C24H35N2O+ MolecularWeight: 367.5475

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@](CO)(C=C)[NH+](CC=C)CC1=CC=CN1CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C24H34N2O/c1-7-15-26(24(6,8-2)19-27)18-22-10-9-16-25(22)17-20-11-13-21(14-12-20)23(3,4)5/h7-14,16,27H,1-2,15,17-19H2,3-6H3/p+1/t24-/m0/s1