tert-butyl 4-(2-benzamidoethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(2-benzamidoethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-(2-benzamidoethyl)piperazin-4-ium-1-carboxylate CAS Name: 4-(2-benzamidoethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-benzamidoethyl)piperazin-4-ium-1-carboxylate Traditional Name: 4-(2-benzamidoethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H28N3O3+ MolecularWeight: 334.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O3/c1-18(2,3)24-17(23)21-13-11-20(12-14-21)10-9-19-16(22)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,22)/p+1