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

Systemtic Name: 2-[4-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]piperazin-1-ium-1-yl]-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-[4-[(1S)-1-methyl-2-(4-methyl-1-piperidyl)-2-oxo-ethyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[(2S)-1-(4-methyl-1-piperidinyl)-1-oxopropan-2-yl]-1-piperazin-1-iumyl]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-[4-[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-benzyl-2-[4-[(1S)-2-keto-1-methyl-2-(4-methylpiperidino)ethyl]piperazin-1-ium-1-yl]acetamide Formula: C22H35N4O2+ MolecularWeight: 387.5389

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)C(C)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1CCN(CC1)C(=O)[C@H](C)N2CC[NH+](CC2)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H34N4O2/c1-18-8-10-26(11-9-18)22(28)19(2)25-14-12-24(13-15-25)17-21(27)23-16-20-6-4-3-5-7-20/h3-7,18-19H,8-17H2,1-2H3,(H,23,27)/p+1/t19-/m0/s1