2,2-dimethyl-N-[(2S)-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]propanamide

Systemtic Name: 2,2-dimethyl-N-[(2S)-1-oxidanylidene-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]propanamide Openeye Name: 2,2-dimethyl-N-[(1S)-1-methyl-2-oxo-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]propanamide CAS Name: 2,2-dimethyl-N-[(2S)-1-oxo-1-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]propan-2-yl]propanamide IUPAC Name: 2,2-dimethyl-N-[(2S)-1-oxo-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]propan-2-yl]propanamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]-2,2-dimethyl-propionamide Formula: C20H32N3O2+ MolecularWeight: 346.48698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)C[NH+]2CCCC2)NC(=O)C(C)(C)C

InChI

InChI=1S/C20H31N3O2/c1-15(22-19(25)20(2,3)4)18(24)21-13-16-7-9-17(10-8-16)14-23-11-5-6-12-23/h7-10,15H,5-6,11-14H2,1-4H3,(H,21,24)(H,22,25)/p+1/t15-/m0/s1