(2S,4S)-N-ethyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-N-ethyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]-1-(phenylmethyl)pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-1-benzyl-N-ethyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-N-ethyl-4-[(1-ethyl-4-piperidin-1-iumyl)amino]-1-(phenylmethyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-1-benzyl-N-ethyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-1-benzyl-N-ethyl-4-[(1-ethylpiperidin-1-ium-4-yl)amino]pyrrolidin-1-ium-2-carboxamide Formula: C21H36N4O+2 MolecularWeight: 360.53674

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1CC(C[NH+]1CC2=CC=CC=C2)NC3CC[NH+](CC3)CC

Isomeric SMILES

CCNC(=O)[C@@H]1C[C@@H](C[NH+]1CC2=CC=CC=C2)NC3CC[NH+](CC3)CC

InChI

InChI=1S/C21H34N4O/c1-3-22-21(26)20-14-19(23-18-10-12-24(4-2)13-11-18)16-25(20)15-17-8-6-5-7-9-17/h5-9,18-20,23H,3-4,10-16H2,1-2H3,(H,22,26)/p+2/t19-,20-/m0/s1