[3-[(2R)-1-(2-imidazol-1-ylethanoylamino)propan-2-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [3-[(2R)-1-(2-imidazol-1-ylethanoylamino)propan-2-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [3-[(1R)-2-[(2-imidazol-1-ylacetyl)amino]-1-methyl-ethoxy]phenyl]methyl-methyl-(3-thienylmethyl)ammonium CAS Name: [3-[(2R)-1-[[2-(1-imidazolyl)-1-oxoethyl]amino]propan-2-yl]oxyphenyl]methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [3-[(2R)-1-[(2-imidazol-1-ylacetyl)amino]propan-2-yl]oxyphenyl]methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [3-[(1R)-2-[(2-imidazol-1-ylacetyl)amino]-1-methyl-ethoxy]benzyl]-methyl-(3-thenyl)ammonium Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CN1C=CN=C1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

Isomeric SMILES

C[C@H](CNC(=O)CN1C=CN=C1)OC2=CC=CC(=C2)C[NH+](C)CC3=CSC=C3

InChI

InChI=1S/C21H26N4O2S/c1-17(11-23-21(26)14-25-8-7-22-16-25)27-20-5-3-4-18(10-20)12-24(2)13-19-6-9-28-15-19/h3-10,15-17H,11-14H2,1-2H3,(H,23,26)/p+1/t17-/m1/s1