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

Systemtic Name: 2-azanyl-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Openeye Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide CAS Name: 2-amino-N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-4-pyridinecarboxamide IUPAC Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]pyridine-4-carboxamide Traditional Name: 2-amino-N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]isonicotinamide Formula: C18H29N4O+ MolecularWeight: 317.44906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O/c19-17-12-14(9-10-20-17)18(23)21-15-6-5-11-22(13-15)16-7-3-1-2-4-8-16/h9-10,12,15-16H,1-8,11,13H2,(H2,19,20)(H,21,23)/p+1/t15-/m0/s1