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

Systemtic Name: (3S)-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-(phenylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-benzyl-1-[1-[(5-methyl-2-furyl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[1-[(5-methyl-2-furanyl)methyl]-4-piperidinyl]-N-(phenylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-benzyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-benzyl-1-[1-[(5-methyl-2-furyl)methyl]-4-piperidyl]piperidin-1-ium-3-carboxamide Formula: C24H34N3O2+ MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN2CCC(CC2)[NH+]3CCCC(C3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(O1)CN2CCC(CC2)[NH+]3CCC[C@@H](C3)C(=O)NCC4=CC=CC=C4

InChI

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