(2S)-4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-2-carboxamide

Systemtic Name: (2S)-4-(4-tert-butylphenyl)carbonylpiperazin-1-ium-2-carboxamide Openeye Name: (2S)-4-(4-tert-butylbenzoyl)piperazin-1-ium-2-carboxamide CAS Name: (2S)-4-[(4-tert-butylphenyl)-oxomethyl]-2-piperazin-1-iumcarboxamide IUPAC Name: (2S)-4-(4-tert-butylbenzoyl)piperazin-1-ium-2-carboxamide Traditional Name: (2S)-4-(4-tert-butylbenzoyl)piperazin-1-ium-2-carboxamide Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH2+]C(C2)C(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2CC[NH2+][C@@H](C2)C(=O)N

InChI

InChI=1S/C16H23N3O2/c1-16(2,3)12-6-4-11(5-7-12)15(21)19-9-8-18-13(10-19)14(17)20/h4-7,13,18H,8-10H2,1-3H3,(H2,17,20)/p+1/t13-/m0/s1