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

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-(2-furylmethyl)piperidin-1-ium-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-1-(2-furanylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-1-(furan-2-ylmethyl)piperidin-1-ium-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-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:

C1CCCC(CC1)[NH+]2CCCC(C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

Isomeric SMILES

C1CCCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)C3CC[NH+](CC3)CC4=CC=CO4

InChI

InChI=1S/C23H37N3O2/c27-23(19-11-14-25(15-12-19)18-22-10-6-16-28-22)24-20-7-5-13-26(17-20)21-8-3-1-2-4-9-21/h6,10,16,19-21H,1-5,7-9,11-15,17-18H2,(H,24,27)/p+2/t20-/m0/s1