2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylhex-5-enyl]azanium

Systemtic Name: 2-methoxyethyl-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-[(2S)-2-oxidanylhex-5-enyl]azanium Openeye Name: [(2S)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]ammonium CAS Name: [(2S)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]ammonium IUPAC Name: [(2S)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]azanium Traditional Name: [(2S)-2-hydroxyhex-5-enyl]-[(1-m-anisylpyrrol-2-yl)methyl]-(2-methoxyethyl)ammonium Formula: C22H33N2O3+ MolecularWeight: 373.50902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O3/c1-4-5-10-21(25)18-23(13-14-26-2)17-20-9-7-12-24(20)16-19-8-6-11-22(15-19)27-3/h4,6-9,11-12,15,21,25H,1,5,10,13-14,16-18H2,2-3H3/p+1/t21-/m0/s1