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

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]-prop-2-enyl-azanium Openeye Name: allyl-[[1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-prop-2-enylammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-prop-2-enylazanium Traditional Name: allyl-[[1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl]-[(2R)-2-hydroxy-3-propargyloxy-propyl]ammonium Formula: C25H35N2O2+ MolecularWeight: 395.5576

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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(COCC#C)O

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O2/c1-6-14-26(19-24(28)20-29-16-7-2)18-23-9-8-15-27(23)17-21-10-12-22(13-11-21)25(3,4)5/h2,6,8-13,15,24,28H,1,14,16-20H2,3-5H3/p+1/t24-/m1/s1