[(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: [(2R)-4-[(3-methoxyphenyl)amino]-4-oxidanylidene-butan-2-yl]-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]azanium Openeye Name: [(1R)-3-(3-methoxyanilino)-1-methyl-3-oxo-propyl]-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium CAS Name: [(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]-[(2R)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2R)-4-(3-methoxyanilino)-4-oxobutan-2-yl]-[(2R)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]azanium Traditional Name: [(1R)-3-keto-3-(m-anisidino)-1-methyl-propyl]-[(2R)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]ammonium Formula: C21H31N3O2S+2 MolecularWeight: 389.55474

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC(=CC=C1)OC)[NH2+]CC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

C[C@H](CC(=O)NC1=CC(=CC=C1)OC)[NH2+]C[C@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C21H29N3O2S/c1-16(13-21(25)23-17-7-5-8-18(14-17)26-2)22-15-19(20-9-6-12-27-20)24-10-3-4-11-24/h5-9,12,14,16,19,22H,3-4,10-11,13,15H2,1-2H3,(H,23,25)/p+2/t16-,19-/m1/s1