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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxidanidyl-pyridin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxido-pyridin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-1-oxido-4-pyridin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-oxidopyridin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-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:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3=CC=[N+](C=C3)[O-]

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3=CC=[N+](C=C3)[O-]

InChI

InChI=1S/C18H27N3O2/c22-18(15-9-12-21(23)13-10-15)19-16-6-5-11-20(14-16)17-7-3-1-2-4-8-17/h9-10,12-13,16-17H,1-8,11,14H2,(H,19,22)/p+1/t16-/m0/s1