2-methoxyethyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(2-oxidanylidene-2-phenylmethoxy-ethyl)azanium

Systemtic Name: 2-methoxyethyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(2-oxidanylidene-2-phenylmethoxy-ethyl)azanium Openeye Name: (2-benzyloxy-2-oxo-ethyl)-(2-methoxyethyl)-[[1-(m-tolylmethyl)pyrrol-2-yl]methyl]ammonium CAS Name: 2-methoxyethyl-[[1-[(3-methylphenyl)methyl]-2-pyrrolyl]methyl]-(2-oxo-2-phenylmethoxyethyl)ammonium IUPAC Name: 2-methoxyethyl-[[1-[(3-methylphenyl)methyl]pyrrol-2-yl]methyl]-(2-oxo-2-phenylmethoxyethyl)azanium Traditional Name: (2-benzoxy-2-keto-ethyl)-(2-methoxyethyl)-[[1-(3-methylbenzyl)pyrrol-2-yl]methyl]ammonium Formula: C25H31N2O3+ MolecularWeight: 407.52524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCOC)CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)CN2C=CC=C2C[NH+](CCOC)CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H30N2O3/c1-21-8-6-11-23(16-21)17-27-13-7-12-24(27)18-26(14-15-29-2)19-25(28)30-20-22-9-4-3-5-10-22/h3-13,16H,14-15,17-20H2,1-2H3/p+1