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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]isonicotinamide Formula: C18H28N3O+ MolecularWeight: 302.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O/c22-18(15-9-11-19-12-10-15)20-16-6-5-13-21(14-16)17-7-3-1-2-4-8-17/h9-12,16-17H,1-8,13-14H2,(H,20,22)/p+1/t16-/m0/s1