2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-[(4-propan-2-ylphenyl)amino]piperidin-1-yl]ethanone Openeye Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-isopropylanilino)-1-piperidyl]ethanone CAS Name: 2-(4-ethyl-1-piperazin-1-iumyl)-1-[(3S)-3-(4-propan-2-ylanilino)-1-piperidinyl]ethanone IUPAC Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-(4-propan-2-ylanilino)piperidin-1-yl]ethanone Traditional Name: 1-[(3S)-3-cumidinopiperidino]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Formula: C22H37N4O+ MolecularWeight: 373.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)CC(=O)N2CCCC(C2)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCN1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H36N4O/c1-4-24-12-14-25(15-13-24)17-22(27)26-11-5-6-21(16-26)23-20-9-7-19(8-10-20)18(2)3/h7-10,18,21,23H,4-6,11-17H2,1-3H3/p+1/t21-/m0/s1