(3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(5-methylfuran-2-yl)methyl]-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(5-methyl-2-furanyl)methyl]-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(5-methylfuran-2-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1-benzylpiperidin-1-ium-4-yl)-N-[(5-methyl-2-furyl)methyl]piperidin-1-ium-3-carboxamide Formula: C24H35N3O2+2 MolecularWeight: 397.5536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CNC(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CNC(=O)[C@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H33N3O2/c1-19-9-10-23(29-19)16-25-24(28)21-8-5-13-27(18-21)22-11-14-26(15-12-22)17-20-6-3-2-4-7-20/h2-4,6-7,9-10,21-22H,5,8,11-18H2,1H3,(H,25,28)/p+2/t21-/m0/s1