4-tert-butyl-N-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]benzamide

Systemtic Name: 4-tert-butyl-N-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]benzamide Openeye Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]-4-tert-butyl-benzamide CAS Name: 4-tert-butyl-N-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-4-tert-butylbenzamide Traditional Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]-4-tert-butyl-benzamide Formula: C24H32N3O2+ MolecularWeight: 394.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)NC2CC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C24H31N3O2/c1-24(2,3)20-11-9-19(10-12-20)23(29)25-15-22(28)26-21-13-14-27(17-21)16-18-7-5-4-6-8-18/h4-12,21H,13-17H2,1-3H3,(H,25,29)(H,26,28)/p+1/t21-/m0/s1