N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H27N3O2/c22-18(16-8-11-21(23)12-9-16)19-17-7-4-10-20(14-17)13-15-5-2-1-3-6-15/h8-9,11-12,15,17H,1-7,10,13-14H2,(H,19,22)/p+1/t17-/m0/s1