[2-[(2S)-2-azaniumylpropyl]-1,3-thiazol-4-yl]methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: [2-[(2S)-2-azaniumylpropyl]-1,3-thiazol-4-yl]methyl-ethyl-(phenylmethyl)azanium Openeye Name: [2-[(2S)-2-azaniumylpropyl]thiazol-4-yl]methyl-benzyl-ethyl-ammonium CAS Name: [2-[(2S)-2-ammoniopropyl]-4-thiazolyl]methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: [2-[(2S)-2-azaniumylpropyl]-1,3-thiazol-4-yl]methyl-benzyl-ethylazanium Traditional Name: [2-[(2S)-2-ammoniopropyl]thiazol-4-yl]methyl-benzyl-ethyl-ammonium Formula: C16H25N3S+2 MolecularWeight: 291.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=CSC(=N2)CC(C)[NH3+]

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=CSC(=N2)C[C@H](C)[NH3+]

InChI

InChI=1S/C16H23N3S/c1-3-19(10-14-7-5-4-6-8-14)11-15-12-20-16(18-15)9-13(2)17/h4-8,12-13H,3,9-11,17H2,1-2H3/p+2/t13-/m0/s1