(3S)-N-cyclopropyl-1-[1-(2-methylfuran-3-yl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(2-methylfuran-3-yl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(2-methylfuran-3-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(2-methyl-3-furanyl)-oxomethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(2-methyl-3-furoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C20H30N3O3+ MolecularWeight: 360.4705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C20H29N3O3/c1-14-18(8-12-26-14)20(25)22-10-6-17(7-11-22)23-9-2-3-15(13-23)19(24)21-16-4-5-16/h8,12,15-17H,2-7,9-11,13H2,1H3,(H,21,24)/p+1/t15-/m0/s1