4-[[(2S)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2S)-2-[4-(2-oxidanylidene-2-piperidin-1-yl-ethyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Openeye Name: 4-[[(2S)-2-[4-[2-oxo-2-(1-piperidyl)ethyl]piperazin-1-ium-1-yl]propanoyl]amino]benzamide CAS Name: 4-[[(2S)-1-oxo-2-[4-[2-oxo-2-(1-piperidinyl)ethyl]-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: 4-[[(2S)-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Traditional Name: 4-[[(2S)-2-[4-(2-keto-2-piperidino-ethyl)piperazin-1-ium-1-yl]propanoyl]amino]benzamide Formula: C21H32N5O3+ MolecularWeight: 402.51048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCN(CC2)CC(=O)N3CCCCC3

InChI

InChI=1S/C21H31N5O3/c1-16(21(29)23-18-7-5-17(6-8-18)20(22)28)25-13-11-24(12-14-25)15-19(27)26-9-3-2-4-10-26/h5-8,16H,2-4,9-15H2,1H3,(H2,22,28)(H,23,29)/p+1/t16-/m0/s1