4-(aminomethyl)-N-[1-(1-oxidanidyl-5-phenyl-pyridin-1-ium-3-yl)-2-phenyl-ethyl]cyclohexane-1-carboxamide

Systemtic Name: 4-(aminomethyl)-N-[1-(1-oxidanidyl-5-phenyl-pyridin-1-ium-3-yl)-2-phenyl-ethyl]cyclohexane-1-carboxamide Openeye Name: 4-(aminomethyl)-N-[1-(1-oxido-5-phenyl-pyridin-1-ium-3-yl)-2-phenyl-ethyl]cyclohexanecarboxamide CAS Name: 4-(aminomethyl)-N-[1-(1-oxido-5-phenyl-3-pyridin-1-iumyl)-2-phenylethyl]-1-cyclohexanecarboxamide IUPAC Name: 4-(aminomethyl)-N-[1-(1-oxido-5-phenylpyridin-1-ium-3-yl)-2-phenylethyl]cyclohexane-1-carboxamide Traditional Name: 4-(aminomethyl)-N-[1-(1-oxido-5-phenyl-pyridin-1-ium-3-yl)-2-phenyl-ethyl]cyclohexanecarboxamide Formula: C27H31N3O2 MolecularWeight: 429.55394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=C[N+](=CC(=C3)C4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC(CCC1CN)C(=O)NC(CC2=CC=CC=C2)C3=C[N+](=CC(=C3)C4=CC=CC=C4)[O-]

InChI

InChI=1S/C27H31N3O2/c28-17-21-11-13-23(14-12-21)27(31)29-26(15-20-7-3-1-4-8-20)25-16-24(18-30(32)19-25)22-9-5-2-6-10-22/h1-10,16,18-19,21,23,26H,11-15,17,28H2,(H,29,31)