(2-methoxyphenyl)-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium

Systemtic Name: (2-methoxyphenyl)-[(2S)-1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]azanium Openeye Name: [(1S)-2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]-(2-methoxyphenyl)ammonium CAS Name: (2-methoxyphenyl)-[(2S)-1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-(2-methoxyphenyl)azanium Traditional Name: [(1S)-2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]-(2-methoxyphenyl)ammonium Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=CC=C3OC

Isomeric SMILES

C[C@@H](C(=O)N1CCN(CC1)CC2=CC=CC=C2)[NH2+]C3=CC=CC=C3OC

InChI

InChI=1S/C21H27N3O2/c1-17(22-19-10-6-7-11-20(19)26-2)21(25)24-14-12-23(13-15-24)16-18-8-4-3-5-9-18/h3-11,17,22H,12-16H2,1-2H3/p+1/t17-/m0/s1