dimethyl-[(1R)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1R)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]phenyl]carbonylamino]-1-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(1R)-2-[[oxo-[4-[[[oxo-(propan-2-ylamino)methyl]amino]methyl]phenyl]methyl]amino]-1-thiophen-2-ylethyl]ammonium IUPAC Name: dimethyl-[(1R)-2-[[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]amino]-1-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-2-[[4-[(isopropylcarbamoylamino)methyl]benzoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NC[C@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C20H28N4O2S/c1-14(2)23-20(26)22-12-15-7-9-16(10-8-15)19(25)21-13-17(24(3)4)18-6-5-11-27-18/h5-11,14,17H,12-13H2,1-4H3,(H,21,25)(H2,22,23,26)/p+1/t17-/m1/s1