N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide

Systemtic Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide Openeye Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-1H-indole-2-carboxamide CAS Name: N-[[(3R)-1-cyclohexyl-3-piperidin-1-iumyl]methyl]-N-(3-pyridinylmethyl)-1H-indole-2-carboxamide IUPAC Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-indole-2-carboxamide Traditional Name: N-[[(3R)-1-cyclohexylpiperidin-1-ium-3-yl]methyl]-N-(3-pyridylmethyl)-1H-indole-2-carboxamide Formula: C27H35N4O+ MolecularWeight: 431.593

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCCC(C2)CN(CC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC[C@@H](C2)CN(CC3=CN=CC=C3)C(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C27H34N4O/c32-27(26-16-23-10-4-5-13-25(23)29-26)31(18-21-8-6-14-28-17-21)20-22-9-7-15-30(19-22)24-11-2-1-3-12-24/h4-6,8,10,13-14,16-17,22,24,29H,1-3,7,9,11-12,15,18-20H2/p+1/t22-/m0/s1