tert-butyl N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]carbamate

Systemtic Name: tert-butyl N-[4-oxidanylidene-4-[4-(phenylmethyl)piperazin-4-ium-1-yl]butyl]carbamate Openeye Name: tert-butyl N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxo-butyl]carbamate CAS Name: N-[4-oxo-4-[4-(phenylmethyl)-1-piperazin-4-iumyl]butyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-oxobutyl]carbamate Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)-4-keto-butyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)21-11-7-10-18(24)23-14-12-22(13-15-23)16-17-8-5-4-6-9-17/h4-6,8-9H,7,10-16H2,1-3H3,(H,21,25)/p+1