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

Systemtic Name: 3-methoxypropyl-[(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]-(3-methoxypropyl)ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(3-methoxypropyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(3-methoxypropyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-(3-methoxypropyl)ammonium Formula: C22H31N2O3+ MolecularWeight: 371.49314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-3-14-27-19-22(25)18-23(12-8-15-26-2)17-21-11-7-13-24(21)16-20-9-5-4-6-10-20/h1,4-7,9-11,13,22,25H,8,12,14-19H2,2H3/p+1/t22-/m1/s1