N-butan-2-yl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide

Systemtic Name: N-butan-2-yl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-N-sec-butyl-isoquinoline-4-carboxamide CAS Name: N-butan-2-yl-1-(4-ethyl-1-piperazin-4-iumyl)-4-isoquinolinecarboxamide IUPAC Name: N-butan-2-yl-1-(4-ethylpiperazin-4-ium-1-yl)isoquinoline-4-carboxamide Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-N-sec-butyl-isoquinoline-4-carboxamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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