N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-(2-furylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-1-(2-furanylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-1-(2-furfuryl)piperidin-1-ium-4-carboxamide Formula: C23H39N3O2+2 MolecularWeight: 389.57466

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C[NH+]2CCCC(C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)C[NH+]2CCC[C@@H](C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C23H37N3O2/c27-23(20-10-13-25(14-11-20)18-22-9-5-15-28-22)24-21-8-4-12-26(17-21)16-19-6-2-1-3-7-19/h5,9,15,19-21H,1-4,6-8,10-14,16-18H2,(H,24,27)/p+2/t21-/m0/s1