(3S)-N-cyclopropyl-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(5-ethyl-2-furyl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(5-ethyl-2-furanyl)methyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(5-ethylfuran-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(5-ethyl-2-furyl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C21H34N3O2+ MolecularWeight: 360.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)CN2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CCC1=CC=C(O1)CN2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C21H33N3O2/c1-2-19-7-8-20(26-19)15-23-12-9-18(10-13-23)24-11-3-4-16(14-24)21(25)22-17-5-6-17/h7-8,16-18H,2-6,9-15H2,1H3,(H,22,25)/p+1/t16-/m0/s1