(2S)-1-[2-[(4-methyl-5-phenyl-3-piperidin-1-ylcarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[(4-methyl-5-phenyl-3-piperidin-1-ylcarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-[[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)-2-thienyl]amino]-2-oxo-ethyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[[4-methyl-3-[oxo(1-piperidinyl)methyl]-5-phenyl-2-thiophenyl]amino]-2-oxoethyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-[[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]amino]-2-oxoethyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-keto-2-[[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)-2-thienyl]amino]ethyl]pyrrolidin-1-ium-2-carboxamide Formula: C24H31N4O3S+ MolecularWeight: 455.59294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)C[NH+]3CCCC3C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=C1C(=O)N2CCCCC2)NC(=O)C[NH+]3CCC[C@H]3C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H30N4O3S/c1-16-20(24(31)27-12-6-3-7-13-27)23(32-21(16)17-9-4-2-5-10-17)26-19(29)15-28-14-8-11-18(28)22(25)30/h2,4-5,9-10,18H,3,6-8,11-15H2,1H3,(H2,25,30)(H,26,29)/p+1/t18-/m0/s1