(3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium

Systemtic Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium Openeye Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium CAS Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-methylpiperidin-1-ium IUPAC Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methylpiperidin-1-ium Traditional Name: (3S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]-3-methyl-piperidin-1-ium Formula: C21H32N3O2S+ MolecularWeight: 390.56268

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCCC(C3)C

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)C

InChI

InChI=1S/C21H31N3O2S/c1-3-27(25,26)21-22-15-20(17-23-13-7-9-18(2)16-23)24(21)14-8-12-19-10-5-4-6-11-19/h4-6,10-11,15,18H,3,7-9,12-14,16-17H2,1-2H3/p+1/t18-/m0/s1