4-tert-butyl-N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-[4-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]benzamide Openeye Name: 4-tert-butyl-N-[3-[4-[2-(4-methylanilino)-2-oxo-ethyl]piperazin-4-ium-1-yl]-3-oxo-propyl]benzamide CAS Name: 4-tert-butyl-N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]-1-piperazin-4-iumyl]-3-oxopropyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-[4-[2-(4-methylanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-3-oxopropyl]benzamide Traditional Name: 4-tert-butyl-N-[3-keto-3-[4-[2-keto-2-(p-toluidino)ethyl]piperazin-4-ium-1-yl]propyl]benzamide Formula: C27H37N4O3+ MolecularWeight: 465.60768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)CCNC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H36N4O3/c1-20-5-11-23(12-6-20)29-24(32)19-30-15-17-31(18-16-30)25(33)13-14-28-26(34)21-7-9-22(10-8-21)27(2,3)4/h5-12H,13-19H2,1-4H3,(H,28,34)(H,29,32)/p+1