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

Systemtic Name: 3-methylbutyl-[(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]-isopentyl-ammonium CAS Name: [(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(3-methylbutyl)-[[1-(phenylmethyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-prop-2-ynoxypropyl]-(3-methylbutyl)azanium Traditional Name: (1-benzylpyrrol-2-yl)methyl-[(2R)-2-hydroxy-3-propargyloxy-propyl]-isoamyl-ammonium Formula: C23H33N2O2+ MolecularWeight: 369.52032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N2O2/c1-4-15-27-19-23(26)18-24(14-12-20(2)3)17-22-11-8-13-25(22)16-21-9-6-5-7-10-21/h1,5-11,13,20,23,26H,12,14-19H2,2-3H3/p+1/t23-/m1/s1