4-tert-butyl-N-(4-piperazin-4-ium-1-ylphenyl)benzamide

Systemtic Name: 4-tert-butyl-N-(4-piperazin-4-ium-1-ylphenyl)benzamide Openeye Name: 4-tert-butyl-N-(4-piperazin-4-ium-1-ylphenyl)benzamide CAS Name: 4-tert-butyl-N-[4-(1-piperazin-4-iumyl)phenyl]benzamide IUPAC Name: 4-tert-butyl-N-(4-piperazin-4-ium-1-ylphenyl)benzamide Traditional Name: 4-tert-butyl-N-(4-piperazin-4-ium-1-ylphenyl)benzamide Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C21H27N3O/c1-21(2,3)17-6-4-16(5-7-17)20(25)23-18-8-10-19(11-9-18)24-14-12-22-13-15-24/h4-11,22H,12-15H2,1-3H3,(H,23,25)/p+1