N-(pyridin-3-ylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-(pyridin-3-ylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-(3-pyridylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-(3-pyridinylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-(pyridin-3-ylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-(3-pyridylmethyl)-1-[1-(3,3,5,5-tetramethylcyclohexyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C27H45N4O+ MolecularWeight: 441.6724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C)[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)C

Isomeric SMILES

CC1(CC(CC(C1)(C)C)[NH+]2CCC(CC2)N3CCC(CC3)C(=O)NCC4=CN=CC=C4)C

InChI

InChI=1S/C27H44N4O/c1-26(2)16-24(17-27(3,4)20-26)31-14-9-23(10-15-31)30-12-7-22(8-13-30)25(32)29-19-21-6-5-11-28-18-21/h5-6,11,18,22-24H,7-10,12-17,19-20H2,1-4H3,(H,29,32)/p+1