tert-butyl N-[[4-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methylcarbamoyl]phenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methylcarbamoyl]phenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methylcarbamoyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[[1-(4-methyl-1-piperazin-4-iumyl)cyclohexyl]methylamino]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methylcarbamoyl]phenyl]methyl]carbamate Traditional Name: N-[4-[[1-(4-methylpiperazin-4-ium-1-yl)cyclohexyl]methylcarbamoyl]benzyl]carbamic acid tert-butyl ester Formula: C25H41N4O3+ MolecularWeight: 445.61804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CC[NH+](CC3)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)NCC2(CCCCC2)N3CC[NH+](CC3)C

InChI

InChI=1S/C25H40N4O3/c1-24(2,3)32-23(31)26-18-20-8-10-21(11-9-20)22(30)27-19-25(12-6-5-7-13-25)29-16-14-28(4)15-17-29/h8-11H,5-7,12-19H2,1-4H3,(H,26,31)(H,27,30)/p+1