N-(4-butylphenyl)-4-ethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: N-(4-butylphenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-ethyl-piperazin-4-ium-1-carboxamide CAS Name: N-(4-butylphenyl)-4-ethyl-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-butylphenyl)-4-ethylpiperazin-4-ium-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-ethyl-piperazin-4-ium-1-carboxamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC

InChI

InChI=1S/C17H27N3O/c1-3-5-6-15-7-9-16(10-8-15)18-17(21)20-13-11-19(4-2)12-14-20/h7-10H,3-6,11-14H2,1-2H3,(H,18,21)/p+1