1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]-N-phenyl-piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide CAS Name: 1-[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]-N-phenyl-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]-N-phenylpiperidin-1-ium-4-carboxamide Traditional Name: 1-[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]-N-phenyl-piperidin-1-ium-4-carboxamide Formula: C21H33N4O2+ MolecularWeight: 373.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)[NH+]2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H32N4O2/c1-3-23-13-15-25(16-14-23)21(27)17(2)24-11-9-18(10-12-24)20(26)22-19-7-5-4-6-8-19/h4-8,17-18H,3,9-16H2,1-2H3,(H,22,26)/p+1/t17-/m0/s1