[(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(3-aminocarbonylthiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Openeye Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-1-methyl-2-oxo-ethyl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]ammonium CAS Name: [(2R)-1-[(3-carbamoyl-2-thiophenyl)amino]-1-oxopropan-2-yl]-methyl-[[2-(1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: [(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl]-methyl-[(2-pyrrolidin-1-ylphenyl)methyl]azanium Traditional Name: [(1R)-2-[(3-carbamoyl-2-thienyl)amino]-2-keto-1-methyl-ethyl]-methyl-(2-pyrrolidinobenzyl)ammonium Formula: C20H27N4O2S+ MolecularWeight: 387.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CS1)C(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCC3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CS1)C(=O)N)[NH+](C)CC2=CC=CC=C2N3CCCC3

InChI

InChI=1S/C20H26N4O2S/c1-14(19(26)22-20-16(18(21)25)9-12-27-20)23(2)13-15-7-3-4-8-17(15)24-10-5-6-11-24/h3-4,7-9,12,14H,5-6,10-11,13H2,1-2H3,(H2,21,25)(H,22,26)/p+1/t14-/m1/s1