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

Systemtic Name: tert-butyl N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-[4-(3-chlorobenzyl)piperazin-4-ium-1-yl]-3-keto-propyl]carbamic acid tert-butyl ester Formula: C19H29ClN3O3+ MolecularWeight: 382.90486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28ClN3O3/c1-19(2,3)26-18(25)21-8-7-17(24)23-11-9-22(10-12-23)14-15-5-4-6-16(20)13-15/h4-6,13H,7-12,14H2,1-3H3,(H,21,25)/p+1