methyl-[(2S)-3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propyl]azanium

Systemtic Name: methyl-[(2S)-3-[4-(2-methylphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propyl]azanium Openeye Name: [(2S)-2-hydroxy-3-[4-(2-methylbenzoyl)piperazin-1-yl]propyl]-methyl-ammonium CAS Name: [(2S)-2-hydroxy-3-[4-[(2-methylphenyl)-oxomethyl]-1-piperazinyl]propyl]-methylammonium IUPAC Name: [(2S)-2-hydroxy-3-[4-(2-methylbenzoyl)piperazin-1-yl]propyl]-methylazanium Traditional Name: [(2S)-2-hydroxy-3-(4-o-toluoylpiperazino)propyl]-methyl-ammonium Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCN(CC2)CC(C[NH2+]C)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCN(CC2)C[C@H](C[NH2+]C)O

InChI

InChI=1S/C16H25N3O2/c1-13-5-3-4-6-15(13)16(21)19-9-7-18(8-10-19)12-14(20)11-17-2/h3-6,14,17,20H,7-12H2,1-2H3/p+1/t14-/m0/s1