(1-methylpyrrol-2-yl)methyl-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-(phenylmethyl)azanium

Systemtic Name: (1-methylpyrrol-2-yl)methyl-[(2R)-3-morpholin-4-ium-4-yl-2-oxidanyl-propyl]-(phenylmethyl)azanium Openeye Name: benzyl-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-[(1-methylpyrrol-2-yl)methyl]ammonium CAS Name: [(2R)-2-hydroxy-3-(4-morpholin-4-iumyl)propyl]-[(1-methyl-2-pyrrolyl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-2-hydroxy-3-morpholin-4-ium-4-ylpropyl]-[(1-methylpyrrol-2-yl)methyl]azanium Traditional Name: benzyl-[(2R)-2-hydroxy-3-morpholin-4-ium-4-yl-propyl]-[(1-methylpyrrol-2-yl)methyl]ammonium Formula: C20H31N3O2+2 MolecularWeight: 345.47904

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C[NH+](CC2=CC=CC=C2)CC(C[NH+]3CCOCC3)O

Isomeric SMILES

CN1C=CC=C1C[NH+](CC2=CC=CC=C2)C[C@H](C[NH+]3CCOCC3)O

InChI

InChI=1S/C20H29N3O2/c1-21-9-5-8-19(21)15-23(14-18-6-3-2-4-7-18)17-20(24)16-22-10-12-25-13-11-22/h2-9,20,24H,10-17H2,1H3/p+2/t20-/m0/s1