(3S)-1-(2-methylfuran-3-yl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2-methylfuran-3-yl)carbonyl-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-methylfuran-3-carbonyl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(2-methyl-3-furanyl)-oxomethyl]-N-[2-(4-morpholin-4-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-methylfuran-3-carbonyl)-N-(2-morpholin-4-ium-4-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-methyl-3-furoyl)-N-(2-morpholin-4-ium-4-ylethyl)nipecotamide Formula: C18H28N3O4+ MolecularWeight: 350.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)C(=O)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@@H](C2)C(=O)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H27N3O4/c1-14-16(4-10-25-14)18(23)21-6-2-3-15(13-21)17(22)19-5-7-20-8-11-24-12-9-20/h4,10,15H,2-3,5-9,11-13H2,1H3,(H,19,22)/p+1/t15-/m0/s1