(3S)-1-(1-cyclohexylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1-cyclohexylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-cyclohexylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1-cyclohexyl-4-piperidin-1-iumyl)-N-(2-pyridinylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-cyclohexylpiperidin-1-ium-4-yl)-N-(pyridin-2-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-cyclohexylpiperidin-1-ium-4-yl)-N-(2-pyridylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H38N4O+2 MolecularWeight: 386.57402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+]2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1CCC(CC1)[NH+]2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C23H36N4O/c28-23(25-17-20-8-4-5-13-24-20)19-7-6-14-27(18-19)22-11-15-26(16-12-22)21-9-2-1-3-10-21/h4-5,8,13,19,21-22H,1-3,6-7,9-12,14-18H2,(H,25,28)/p+2/t19-/m0/s1