4-(4-tert-butylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide

Systemtic Name: 4-(4-tert-butylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Openeye Name: 4-(4-tert-butylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide CAS Name: 4-(4-tert-butylphenoxy)-N-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]butanamide IUPAC Name: 4-(4-tert-butylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butanamide Traditional Name: 4-(4-tert-butylphenoxy)-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]butyramide Formula: C25H36N3O2+ MolecularWeight: 410.57224

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCCC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C25H35N3O2/c1-25(2,3)20-7-13-23(14-8-20)30-19-5-6-24(29)26-21-9-11-22(12-10-21)28-17-15-27(4)16-18-28/h7-14H,5-6,15-19H2,1-4H3,(H,26,29)/p+1