2-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methyl]-6-prop-2-enyl-phenol

Systemtic Name: 2-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methyl]-6-prop-2-enyl-phenol Openeye Name: 2-allyl-6-[[[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amino]methyl]phenol CAS Name: 2-[[[3-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-3-ium-2-yl]amino]methyl]-6-prop-2-enylphenol IUPAC Name: 2-[[[3-(2-morpholin-4-ylethyl)-1H-benzimidazol-3-ium-2-yl]amino]methyl]-6-prop-2-enylphenol Traditional Name: 2-allyl-6-[[[3-(2-morpholinoethyl)-1H-benzimidazol-3-ium-2-yl]amino]methyl]phenol Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(C(=CC=C1)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4)O

Isomeric SMILES

C=CCC1=C(C(=CC=C1)CNC2=[N+](C3=CC=CC=C3N2)CCN4CCOCC4)O

InChI

InChI=1S/C23H28N4O2/c1-2-6-18-7-5-8-19(22(18)28)17-24-23-25-20-9-3-4-10-21(20)27(23)12-11-26-13-15-29-16-14-26/h2-5,7-10H,1,6,11-17H2,(H2,24,25,28)/p+1