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

Systemtic Name: (3S)-1-[1-(3-methylfuran-2-yl)carbonylpiperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-(3-methylfuran-2-carbonyl)-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(3-methyl-2-furanyl)-oxomethyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-(3-methylfuran-2-carbonyl)piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-(3-methyl-2-furoyl)-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC=C1)C(=O)N2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=C(OC=C1)C(=O)N2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O3/c1-18-11-15-30-22(18)24(29)26-13-9-21(10-14-26)27-12-5-8-20(17-27)23(28)25-16-19-6-3-2-4-7-19/h2-4,6-7,11,15,20-21H,5,8-10,12-14,16-17H2,1H3,(H,25,28)/p+1/t20-/m0/s1