(2S)-N-(2-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanamide

Systemtic Name: (2S)-N-(2-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanamide Openeye Name: (2S)-N-(2-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propanamide CAS Name: (2S)-N-(2-tert-butylphenyl)-2-(1-piperazin-4-iumyl)propanamide IUPAC Name: (2S)-N-(2-tert-butylphenyl)-2-piperazin-4-ium-1-ylpropanamide Traditional Name: (2S)-N-(2-tert-butylphenyl)-2-piperazin-4-ium-1-yl-propionamide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(C)(C)C)N2CC[NH2+]CC2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)(C)C)N2CC[NH2+]CC2

InChI

InChI=1S/C17H27N3O/c1-13(20-11-9-18-10-12-20)16(21)19-15-8-6-5-7-14(15)17(2,3)4/h5-8,13,18H,9-12H2,1-4H3,(H,19,21)/p+1/t13-/m0/s1