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

Systemtic Name: [(2S)-3-[4-(3,4-dimethylphenyl)carbonylpiperazin-1-yl]-2-oxidanyl-propyl]-methyl-azanium Openeye Name: [(2S)-3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-hydroxy-propyl]-methyl-ammonium CAS Name: [(2S)-3-[4-[(3,4-dimethylphenyl)-oxomethyl]-1-piperazinyl]-2-hydroxypropyl]-methylammonium IUPAC Name: [(2S)-3-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-2-hydroxypropyl]-methylazanium Traditional Name: [(2S)-3-[4-(3,4-dimethylbenzoyl)piperazino]-2-hydroxy-propyl]-methyl-ammonium Formula: C17H28N3O2+ MolecularWeight: 306.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O2/c1-13-4-5-15(10-14(13)2)17(22)20-8-6-19(7-9-20)12-16(21)11-18-3/h4-5,10,16,18,21H,6-9,11-12H2,1-3H3/p+1/t16-/m0/s1