2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide

Systemtic Name: 2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[2-keto-2-[(2S)-2-methylpiperidino]ethyl]piperazin-1-ium-1-yl]acetamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CN2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O2/c1-18-7-5-6-10-25(18)21(27)17-24-13-11-23(12-14-24)16-20(26)22-15-19-8-3-2-4-9-19/h2-4,8-9,18H,5-7,10-17H2,1H3,(H,22,26)/p+1/t18-/m0/s1