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

Systemtic Name: 2-methoxyethyl-[(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]-(2-methoxyethyl)ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(2-methoxyethyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(2-methoxyethyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-(2-methoxyethyl)ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-3-13-26-18-21(24)17-22(12-14-25-2)16-20-10-7-11-23(20)15-19-8-5-4-6-9-19/h1,4-11,21,24H,12-18H2,2H3/p+1/t21-/m1/s1