N-[4-[[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[oxo-[[(1S)-1-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]amino]methyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[[(1S)-1-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C24H31N4O2+ MolecularWeight: 407.52854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(C2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

Isomeric SMILES

C1CC[NH+](C1)C[C@H](C2=CC=CC=C2)NC(=O)NCC3=CC=C(C=C3)NC(=O)C4CC4

InChI

InChI=1S/C24H30N4O2/c29-23(20-10-11-20)26-21-12-8-18(9-13-21)16-25-24(30)27-22(17-28-14-4-5-15-28)19-6-2-1-3-7-19/h1-3,6-9,12-13,20,22H,4-5,10-11,14-17H2,(H,26,29)(H2,25,27,30)/p+1/t22-/m1/s1