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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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