2-(azepan-1-ium-1-yl)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)acetamide Formula: C26H44N4O+2 MolecularWeight: 428.65376

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N(CC2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N(C[C@H]2CCC[NH+](C2)C3CCCCC3)CC4=CN=CC=C4

InChI

InChI=1S/C26H42N4O/c31-26(22-28-15-6-1-2-7-16-28)30(19-23-10-8-14-27-18-23)21-24-11-9-17-29(20-24)25-12-4-3-5-13-25/h8,10,14,18,24-25H,1-7,9,11-13,15-17,19-22H2/p+2/t24-/m0/s1