[(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium

Systemtic Name: [(2S)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl]-[1-(phenylmethyl)piperidin-1-ium-4-yl]azanium Openeye Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(2-furanylmethylamino)-1-oxopropan-2-yl]-[1-(phenylmethyl)-4-piperidin-1-iumyl]ammonium IUPAC Name: (1-benzylpiperidin-1-ium-4-yl)-[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]azanium Traditional Name: (1-benzylpiperidin-1-ium-4-yl)-[(1S)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl]ammonium Formula: C20H29N3O2+2 MolecularWeight: 343.46316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=CO1)[NH2+]C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3O2/c1-16(20(24)21-14-19-8-5-13-25-19)22-18-9-11-23(12-10-18)15-17-6-3-2-4-7-17/h2-8,13,16,18,22H,9-12,14-15H2,1H3,(H,21,24)/p+2/t16-/m0/s1