N-butyl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-butyl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide Openeye Name: N-butyl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide CAS Name: N-butyl-1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinecarboxamide IUPAC Name: N-butyl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide Traditional Name: N-butyl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN=C(C2=CC=CC=C21)N3CC[NH+](CC3)CC

Isomeric SMILES

CCCCNC(=O)C1=CN=C(C2=CC=CC=C21)N3CC[NH+](CC3)CC

InChI

InChI=1S/C20H28N4O/c1-3-5-10-21-20(25)18-15-22-19(17-9-7-6-8-16(17)18)24-13-11-23(4-2)12-14-24/h6-9,15H,3-5,10-14H2,1-2H3,(H,21,25)/p+1