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

Systemtic Name: (3S)-1-(2-methylfuran-3-yl)carbonyl-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2-methylfuran-3-carbonyl)-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide CAS Name: (3S)-1-[(2-methyl-3-furanyl)-oxomethyl]-N-[2-(1-piperidin-1-iumyl)ethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2-methylfuran-3-carbonyl)-N-(2-piperidin-1-ium-1-ylethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(2-methyl-3-furoyl)-N-(2-piperidin-1-ium-1-ylethyl)nipecotamide Formula: C19H30N3O3+ MolecularWeight: 348.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCCC(C2)C(=O)NCC[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC[C@@H](C2)C(=O)NCC[NH+]3CCCCC3

InChI

InChI=1S/C19H29N3O3/c1-15-17(7-13-25-15)19(24)22-11-5-6-16(14-22)18(23)20-8-12-21-9-3-2-4-10-21/h7,13,16H,2-6,8-12,14H2,1H3,(H,20,23)/p+1/t16-/m0/s1