[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-3-methoxy-2-oxidanyl-propyl]-prop-2-enyl-azanium

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-3-methoxy-2-oxidanyl-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-methoxypropyl]-prop-2-enylammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-methoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-methoxy-propyl]ammonium Formula: C23H35N2O2+ MolecularWeight: 371.5362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O2/c1-6-13-24(17-22(26)18-27-5)16-21-8-7-14-25(21)15-19-9-11-20(12-10-19)23(2,3)4/h6-12,14,22,26H,1,13,15-18H2,2-5H3/p+1/t22-/m1/s1