1-butan-2-yl-1-[2-(4-butylpiperazin-1-yl)ethyl]indazol-1-ium-3-carboxamide

Systemtic Name: 1-butan-2-yl-1-[2-(4-butylpiperazin-1-yl)ethyl]indazol-1-ium-3-carboxamide Openeye Name: 1-[2-(4-butylpiperazin-1-yl)ethyl]-1-sec-butyl-indazol-1-ium-3-carboxamide CAS Name: 1-butan-2-yl-1-[2-(4-butyl-1-piperazinyl)ethyl]-3-indazol-1-iumcarboxamide IUPAC Name: 1-butan-2-yl-1-[2-(4-butylpiperazin-1-yl)ethyl]indazol-1-ium-3-carboxamide Traditional Name: 1-[2-(4-butylpiperazino)ethyl]-1-sec-butyl-indazol-1-ium-3-carboxamide Formula: C22H36N5O+ MolecularWeight: 386.55414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)CC[N+]2(C3=CC=CC=C3C(=N2)C(=O)N)C(C)CC

Isomeric SMILES

CCCCN1CCN(CC1)CC[N+]2(C3=CC=CC=C3C(=N2)C(=O)N)C(C)CC

InChI

InChI=1S/C22H35N5O/c1-4-6-11-25-12-14-26(15-13-25)16-17-27(18(3)5-2)20-10-8-7-9-19(20)21(24-27)22(23)28/h7-10,18H,4-6,11-17H2,1-3H3,(H-,23,28)/p+1