tert-butyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]carbamate

Systemtic Name: tert-butyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxidanylidene-butyl]carbamate Openeye Name: tert-butyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxo-butyl]carbamate CAS Name: N-[4-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-4-oxobutyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-4-oxobutyl]carbamate Traditional Name: N-[4-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-4-keto-butyl]carbamic acid tert-butyl ester Formula: C20H31ClN3O3+ MolecularWeight: 396.93144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC(=O)N1CC[NH+](CC1)CC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H30ClN3O3/c1-20(2,3)27-19(26)22-9-5-8-18(25)24-12-10-23(11-13-24)15-16-6-4-7-17(21)14-16/h4,6-7,14H,5,8-13,15H2,1-3H3,(H,22,26)/p+1