2-methylpropyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 2-methylpropyl-[(2R)-2-oxidanyl-3-prop-2-ynoxy-propyl]-[[1-(phenylmethyl)pyrrol-2-yl]methyl]azanium Openeye Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]-isobutyl-ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(2-methylpropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(2-methylpropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-isobutyl-ammonium Formula: C22H31N2O2+ MolecularWeight: 355.49374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O2/c1-4-13-26-18-22(25)17-23(14-19(2)3)16-21-11-8-12-24(21)15-20-9-6-5-7-10-20/h1,5-12,19,22,25H,13-18H2,2-3H3/p+1/t22-/m1/s1