(3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(3-phenethyl-2-propan-2-ylsulfonyl-4-imidazolyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(3-phenethyl-2-propan-2-ylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(2-isopropylsulfonyl-3-phenethyl-imidazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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