(1S)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide

Systemtic Name: (1S)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide Openeye Name: (1S)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide CAS Name: (1S)-N-[[2-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]phenyl]methyl]-1-cyclohex-3-enecarboxamide IUPAC Name: (1S)-N-[[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide Traditional Name: (1S)-N-[2-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]benzyl]cyclohex-3-ene-1-carboxamide Formula: C25H31N2O+ MolecularWeight: 375.52644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)C4CCC=CC4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=C(C=C2)C3=CC=CC=C3CNC(=O)[C@H]4CCC=CC4

InChI

InChI=1S/C25H30N2O/c28-25(22-8-2-1-3-9-22)26-18-23-10-4-5-11-24(23)21-14-12-20(13-15-21)19-27-16-6-7-17-27/h1-2,4-5,10-15,22H,3,6-9,16-19H2,(H,26,28)/p+1/t22-/m1/s1