(3S)-N-cyclopropyl-1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-furanyl)prop-2-enyl]-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(furan-2-yl)prop-2-enyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-[(E)-3-(2-furyl)allyl]piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC[NH+](CC2)CC=CC3=CC=CO3)C(=O)NC4CC4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC[NH+](CC2)C/C=C/C3=CC=CO3)C(=O)NC4CC4

InChI

InChI=1S/C21H31N3O2/c25-21(22-18-7-8-18)17-4-1-12-24(16-17)19-9-13-23(14-10-19)11-2-5-20-6-3-15-26-20/h2-3,5-6,15,17-19H,1,4,7-14,16H2,(H,22,25)/p+2/b5-2+/t17-/m0/s1