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

Systemtic Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)-4-imidazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[[2-ethylsulfonyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[[2-esyl-3-(3-phenylpropyl)imidazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-2-29(27,28)21-23-14-19(16-24-12-7-11-18(15-24)20(22)26)25(21)13-6-10-17-8-4-3-5-9-17/h3-5,8-9,14,18H,2,6-7,10-13,15-16H2,1H3,(H2,22,26)/p+1/t18-/m0/s1