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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)CC(C[NH2+]C)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N2CCN(CC2)C[C@H](C[NH2+]C)O

InChI

InChI=1S/C16H25N3O2/c1-13-4-3-5-14(10-13)16(21)19-8-6-18(7-9-19)12-15(20)11-17-2/h3-5,10,15,17,20H,6-9,11-12H2,1-2H3/p+1/t15-/m0/s1