[(2R)-1-[6-azaniumylhexanoyl-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium

Systemtic Name: [(2R)-1-[6-azaniumylhexanoyl-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]azanium Openeye Name: [(1R)-1-[6-azaniumylhexanoyl-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]ammonium CAS Name: [6-[[(2R)-2-ammonio-3-methyl-1-oxobutyl]-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-6-oxohexyl]ammonium IUPAC Name: [(2R)-1-[6-azaniumylhexanoyl-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]amino]-3-methyl-1-oxobutan-2-yl]azanium Traditional Name: [(1R)-1-[6-ammoniohexanoyl-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]-2-methyl-propyl]ammonium Formula: C20H31N5O3S+2 MolecularWeight: 421.55684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C1=NN=C(S1)C2=CC=C(C=C2)OC)C(=O)CCCCC[NH3+])[NH3+]

Isomeric SMILES

CC(C)[C@H](C(=O)N(C1=NN=C(S1)C2=CC=C(C=C2)OC)C(=O)CCCCC[NH3+])[NH3+]

InChI

InChI=1S/C20H29N5O3S/c1-13(2)17(22)19(27)25(16(26)7-5-4-6-12-21)20-24-23-18(29-20)14-8-10-15(28-3)11-9-14/h8-11,13,17H,4-7,12,21-22H2,1-3H3/p+2/t17-/m1/s1