N,N,2-trimethyl-3-[(2-pyridin-2-yl-3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl)oxy]propan-1-amine

Systemtic Name: N,N,2-trimethyl-3-[(2-pyridin-2-yl-3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl)oxy]propan-1-amine Openeye Name: N,N,2-trimethyl-3-[[2-(2-pyridyl)-3-(4-quinolyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl]oxy]propan-1-amine CAS Name: N,N,2-trimethyl-3-[[2-(2-pyridinyl)-3-(4-quinolinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl]oxy]-1-propanamine IUPAC Name: N,N,2-trimethyl-3-[(2-pyridin-2-yl-3-quinolin-4-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl)oxy]propan-1-amine Traditional Name: dimethyl-[2-methyl-3-[[2-(2-pyridyl)-3-(4-quinolyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-7-ium-7-yl]oxy]propyl]amine Formula: C26H30N5O+ MolecularWeight: 428.5493

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN(C)C)CO[N+]12CCCC1=C(C(=N2)C3=CC=CC=N3)C4=CC=NC5=CC=CC=C45

Isomeric SMILES

CC(CN(C)C)CO[N+]12CCCC1=C(C(=N2)C3=CC=CC=N3)C4=CC=NC5=CC=CC=C45

InChI

InChI=1S/C26H30N5O/c1-19(17-30(2)3)18-32-31-16-8-12-24(31)25(26(29-31)23-11-6-7-14-27-23)21-13-15-28-22-10-5-4-9-20(21)22/h4-7,9-11,13-15,19H,8,12,16-18H2,1-3H3/q+1