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

Systemtic Name: (3S)-N-cyclopropyl-1-[1-(5-methoxyfuran-2-yl)carbonylpiperidin-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-(5-methoxyfuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(5-methoxy-2-furanyl)-oxomethyl]-4-piperidinyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-(5-methoxyfuran-2-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(5-methoxy-2-furoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(O1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

COC1=CC=C(O1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C20H29N3O4/c1-26-18-7-6-17(27-18)20(25)22-11-8-16(9-12-22)23-10-2-3-14(13-23)19(24)21-15-4-5-15/h6-7,14-16H,2-5,8-13H2,1H3,(H,21,24)/p+1/t14-/m0/s1