[(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium

Systemtic Name: [(R)-(4-ethylphenyl)-thiophen-2-yl-methyl]-[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl]azanium Openeye Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-(isopentylcarbamoylamino)-2-oxo-ethyl]ammonium CAS Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl]ammonium IUPAC Name: [(R)-(4-ethylphenyl)-thiophen-2-ylmethyl]-[2-(3-methylbutylcarbamoylamino)-2-oxoethyl]azanium Traditional Name: [(R)-(4-ethylphenyl)-(2-thienyl)methyl]-[2-(isoamylcarbamoylamino)-2-keto-ethyl]ammonium Formula: C21H30N3O2S+ MolecularWeight: 388.5468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCCC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H](C2=CC=CS2)[NH2+]CC(=O)NC(=O)NCCC(C)C

InChI

InChI=1S/C21H29N3O2S/c1-4-16-7-9-17(10-8-16)20(18-6-5-13-27-18)23-14-19(25)24-21(26)22-12-11-15(2)3/h5-10,13,15,20,23H,4,11-12,14H2,1-3H3,(H2,22,24,25,26)/p+1/t20-/m1/s1