[4-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol

Systemtic Name: [4-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol Openeye Name: [4-[4-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]-2-thienyl]methanol CAS Name: [4-[4-(1-ethyl-1-piperazin-1-iumyl)-3-isoquinolinyl]-2-thiophenyl]methanol IUPAC Name: [4-[4-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]thiophen-2-yl]methanol Traditional Name: [4-[4-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]-2-thienyl]methanol Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(CCNCC1)C2=C(N=CC3=CC=CC=C32)C4=CSC(=C4)CO

Isomeric SMILES

CC[N+]1(CCNCC1)C2=C(N=CC3=CC=CC=C32)C4=CSC(=C4)CO

InChI

InChI=1S/C20H24N3OS/c1-2-23(9-7-21-8-10-23)20-18-6-4-3-5-15(18)12-22-19(20)16-11-17(13-24)25-14-16/h3-6,11-12,14,21,24H,2,7-10,13H2,1H3/q+1