1-[4-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]phenyl]-N-propyl-methanesulfonamide

Systemtic Name: 1-[4-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]phenyl]-N-propyl-methanesulfonamide Openeye Name: 1-[4-[1-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]phenyl]-N-propyl-methanesulfonamide CAS Name: 1-[4-[1-(1-ethyl-1-piperazin-1-iumyl)-3-isoquinolinyl]phenyl]-N-propylmethanesulfonamide IUPAC Name: 1-[4-[1-(1-ethylpiperazin-1-ium-1-yl)isoquinolin-3-yl]phenyl]-N-propylmethanesulfonamide Traditional Name: 1-[4-[1-(1-ethylpiperazin-1-ium-1-yl)-3-isoquinolyl]phenyl]-N-propyl-methanesulfonamide Formula: C25H33N4O2S+ MolecularWeight: 453.62012

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Descriptors Computed from Structure

Canonical SMILES:

CCCNS(=O)(=O)CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)[N+]4(CCNCC4)CC

Isomeric SMILES

CCCNS(=O)(=O)CC1=CC=C(C=C1)C2=CC3=CC=CC=C3C(=N2)[N+]4(CCNCC4)CC

InChI

InChI=1S/C25H33N4O2S/c1-3-13-27-32(30,31)19-20-9-11-21(12-10-20)24-18-22-7-5-6-8-23(22)25(28-24)29(4-2)16-14-26-15-17-29/h5-12,18,26-27H,3-4,13-17,19H2,1-2H3/q+1