tert-butyl 4-azanyl-1-(2-methylpentanoyl)-4-[4-(phenylmethyl)phenyl]carbonyl-piperazine-1,4-diium-1-carboxylate

Systemtic Name: tert-butyl 4-azanyl-1-(2-methylpentanoyl)-4-[4-(phenylmethyl)phenyl]carbonyl-piperazine-1,4-diium-1-carboxylate Openeye Name: tert-butyl 4-amino-4-(4-benzylbenzoyl)-1-(2-methylpentanoyl)piperazine-1,4-diium-1-carboxylate CAS Name: 4-amino-1-(2-methyl-1-oxopentyl)-4-[oxo-[4-(phenylmethyl)phenyl]methyl]-1-piperazine-1,4-diiumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-amino-4-(4-benzylbenzoyl)-1-(2-methylpentanoyl)piperazine-1,4-diium-1-carboxylate Traditional Name: 4-amino-4-(4-benzylbenzoyl)-1-(2-methylpentanoyl)piperazine-1,4-diium-1-carboxylic acid tert-butyl ester Formula: C29H41N3O4+2 MolecularWeight: 495.65354

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)[N+]1(CC[N+](CC1)(C(=O)C2=CC=C(C=C2)CC3=CC=CC=C3)N)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC(C)C(=O)[N+]1(CC[N+](CC1)(C(=O)C2=CC=C(C=C2)CC3=CC=CC=C3)N)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41N3O4/c1-6-10-22(2)26(33)31(28(35)36-29(3,4)5)17-19-32(30,20-18-31)27(34)25-15-13-24(14-16-25)21-23-11-8-7-9-12-23/h7-9,11-16,22H,6,10,17-21,30H2,1-5H3/q+2