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

Systemtic Name: (3S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium Openeye Name: (3S)-1-[(2-ethylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium CAS Name: (3S)-1-[(2-ethylsulfonyl-3-phenethyl-4-imidazolyl)methyl]-3-methoxypiperidin-1-ium IUPAC Name: (3S)-1-[(2-ethylsulfonyl-3-phenethylimidazol-4-yl)methyl]-3-methoxypiperidin-1-ium Traditional Name: (3S)-1-[(2-esyl-3-phenethyl-imidazol-4-yl)methyl]-3-methoxy-piperidin-1-ium Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCCC(C3)OC

Isomeric SMILES

CCS(=O)(=O)C1=NC=C(N1CCC2=CC=CC=C2)C[NH+]3CCC[C@@H](C3)OC

InChI

InChI=1S/C20H29N3O3S/c1-3-27(24,25)20-21-14-18(15-22-12-7-10-19(16-22)26-2)23(20)13-11-17-8-5-4-6-9-17/h4-6,8-9,14,19H,3,7,10-13,15-16H2,1-2H3/p+1/t19-/m0/s1