4-tert-butyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]benzamide Openeye Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]benzamide IUPAC Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-4-tert-butylbenzamide Traditional Name: N-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-4-tert-butyl-benzamide Formula: C25H34N3O2+ MolecularWeight: 408.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O2/c1-25(2,3)22-11-9-21(10-12-22)24(30)26-14-13-23(29)28-17-15-27(16-18-28)19-20-7-5-4-6-8-20/h4-12H,13-19H2,1-3H3,(H,26,30)/p+1