[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylpentyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanylpentyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxypentyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxypentyl]-prop-2-enylammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxypentyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxypentyl]ammonium Formula: C24H37N2O+ MolecularWeight: 369.56338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H36N2O/c1-6-9-23(27)19-25(15-7-2)18-22-10-8-16-26(22)17-20-11-13-21(14-12-20)24(3,4)5/h7-8,10-14,16,23,27H,2,6,9,15,17-19H2,1,3-5H3/p+1/t23-/m1/s1