N-[4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]methyl]phenyl]acetamide Formula: C18H30N3O2+ MolecularWeight: 320.4497

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)CC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C18H29N3O2/c1-14(2)21-10-9-20(13-18(21)8-11-22)12-16-4-6-17(7-5-16)19-15(3)23/h4-7,14,18,22H,8-13H2,1-3H3,(H,19,23)/p+1/t18-/m0/s1