2-morpholin-4-ium-4-ylethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium

Systemtic Name: 2-morpholin-4-ium-4-ylethyl-[[1-(phenylmethyl)pyrrol-2-yl]methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium CAS Name: 2-(4-morpholin-4-iumyl)ethyl-[[1-(phenylmethyl)-2-pyrrolyl]methyl]-prop-2-enylammonium IUPAC Name: (1-benzylpyrrol-2-yl)methyl-(2-morpholin-4-ium-4-ylethyl)-prop-2-enylazanium Traditional Name: allyl-[(1-benzylpyrrol-2-yl)methyl]-(2-morpholin-4-ium-4-ylethyl)ammonium Formula: C21H31N3O+2 MolecularWeight: 341.49034

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC[NH+]1CCOCC1)CC2=CC=CN2CC3=CC=CC=C3

Isomeric SMILES

C=CC[NH+](CC[NH+]1CCOCC1)CC2=CC=CN2CC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O/c1-2-10-23(13-12-22-14-16-25-17-15-22)19-21-9-6-11-24(21)18-20-7-4-3-5-8-20/h2-9,11H,1,10,12-19H2/p+2