2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-phenylazanylpiperidin-1-yl]ethanone

Systemtic Name: 2-(4-ethylpiperazin-1-ium-1-yl)-1-[(3S)-3-phenylazanylpiperidin-1-yl]ethanone Openeye Name: 1-[(3S)-3-anilino-1-piperidyl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone CAS Name: 1-[(3S)-3-anilino-1-piperidinyl]-2-(4-ethyl-1-piperazin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-anilinopiperidin-1-yl]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Traditional Name: 1-[(3S)-3-anilinopiperidino]-2-(4-ethylpiperazin-1-ium-1-yl)ethanone Formula: C19H31N4O+ MolecularWeight: 331.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O/c1-2-21-11-13-22(14-12-21)16-19(24)23-10-6-9-18(15-23)20-17-7-4-3-5-8-17/h3-5,7-8,18,20H,2,6,9-16H2,1H3/p+1/t18-/m0/s1