(2-methoxy-2-oxidanylidene-ethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium

Systemtic Name: (2-methoxy-2-oxidanylidene-ethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium Openeye Name: (2-methoxy-2-oxo-ethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: (2-methoxy-2-oxoethyl)-[[1-[(3-methoxyphenyl)methyl]-2-pyrrolyl]methyl]-[2-(4-morpholin-4-iumyl)ethyl]ammonium IUPAC Name: (2-methoxy-2-oxoethyl)-[[1-[(3-methoxyphenyl)methyl]pyrrol-2-yl]methyl]-(2-morpholin-4-ium-4-ylethyl)azanium Traditional Name: (2-keto-2-methoxy-ethyl)-[(1-m-anisylpyrrol-2-yl)methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C22H33N3O4+2 MolecularWeight: 403.51512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC[NH+]3CCOCC3)CC(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CN2C=CC=C2C[NH+](CC[NH+]3CCOCC3)CC(=O)OC

InChI

InChI=1S/C22H31N3O4/c1-27-21-7-3-5-19(15-21)16-25-8-4-6-20(25)17-24(18-22(26)28-2)10-9-23-11-13-29-14-12-23/h3-8,15H,9-14,16-18H2,1-2H3/p+2