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

Systemtic Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]azanium Openeye Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]ammonium CAS Name: [1-[(4-tert-butylphenyl)methyl]-2-pyrrolyl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]ammonium IUPAC Name: [1-[(4-tert-butylphenyl)methyl]pyrrol-2-yl]methyl-cyclopropyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]azanium Traditional Name: [1-(4-tert-butylbenzyl)pyrrol-2-yl]methyl-cyclopropyl-[(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(COCC#C)O)C3CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CN2C=CC=C2C[NH+](C[C@H](COCC#C)O)C3CC3

InChI

InChI=1S/C25H34N2O2/c1-5-15-29-19-24(28)18-27(22-12-13-22)17-23-7-6-14-26(23)16-20-8-10-21(11-9-20)25(2,3)4/h1,6-11,14,22,24,28H,12-13,15-19H2,2-4H3/p+1/t24-/m1/s1