tert-butyl N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]carbamate

Systemtic Name: tert-butyl N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]carbamate Openeye Name: tert-butyl N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]carbamate CAS Name: N-[3-[[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylanilino]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]carbamoyl]phenyl]carbamate Traditional Name: N-[3-[[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]carbamoyl]phenyl]carbamic acid tert-butyl ester Formula: C25H35N4O3+ MolecularWeight: 439.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)C3=CC(=CC=C3)NC(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H34N4O3/c1-6-28-12-14-29(15-13-28)21-10-11-22(18(2)16-21)27-23(30)19-8-7-9-20(17-19)26-24(31)32-25(3,4)5/h7-11,16-17H,6,12-15H2,1-5H3,(H,26,31)(H,27,30)/p+1