2-methyl-N-[1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide

Systemtic Name: 2-methyl-N-[1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperidin-1-ium-4-yl]benzamide Openeye Name: 2-methyl-N-[1-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]piperidin-1-ium-4-yl]benzamide CAS Name: 2-methyl-N-[1-[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]-4-piperidin-1-iumyl]benzamide IUPAC Name: 2-methyl-N-[1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]piperidin-1-ium-4-yl]benzamide Traditional Name: N-[1-[2-keto-2-[(3R)-3-methylpiperidino]ethyl]piperidin-1-ium-4-yl]-2-methyl-benzamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C[NH+]2CCC(CC2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C21H31N3O2/c1-16-6-5-11-24(14-16)20(25)15-23-12-9-18(10-13-23)22-21(26)19-8-4-3-7-17(19)2/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3,(H,22,26)/p+1/t16-/m1/s1