[(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [(2R)-1-[(4-tert-butylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [(1R)-2-(4-tert-butylanilino)-1-methyl-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [(2R)-1-(4-tert-butylanilino)-1-oxopropan-2-yl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [(1R)-2-(4-tert-butylanilino)-2-keto-1-methyl-ethyl]-methyl-(3-thenyl)ammonium Formula: C19H27N2OS+ MolecularWeight: 331.49548

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(C)(C)C)[NH+](C)CC2=CSC=C2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(C)(C)C)[NH+](C)CC2=CSC=C2

InChI

InChI=1S/C19H26N2OS/c1-14(21(5)12-15-10-11-23-13-15)18(22)20-17-8-6-16(7-9-17)19(2,3)4/h6-11,13-14H,12H2,1-5H3,(H,20,22)/p+1/t14-/m1/s1