[(2S)-1-[2-[(4-pyrrolidin-1-ylphenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium

Systemtic Name: [(2S)-1-[2-[(4-pyrrolidin-1-ylphenyl)amino]-1,3-thiazol-4-yl]propan-2-yl]azanium Openeye Name: [(1S)-1-methyl-2-[2-(4-pyrrolidin-1-ylanilino)thiazol-4-yl]ethyl]ammonium CAS Name: [(2S)-1-[2-[4-(1-pyrrolidinyl)anilino]-4-thiazolyl]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[2-(4-pyrrolidin-1-ylanilino)-1,3-thiazol-4-yl]propan-2-yl]azanium Traditional Name: [(1S)-1-methyl-2-[2-(4-pyrrolidinoanilino)thiazol-4-yl]ethyl]ammonium Formula: C16H23N4S+ MolecularWeight: 303.44562

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CSC(=N1)NC2=CC=C(C=C2)N3CCCC3)[NH3+]

Isomeric SMILES

C[C@@H](CC1=CSC(=N1)NC2=CC=C(C=C2)N3CCCC3)[NH3+]

InChI

InChI=1S/C16H22N4S/c1-12(17)10-14-11-21-16(19-14)18-13-4-6-15(7-5-13)20-8-2-3-9-20/h4-7,11-12H,2-3,8-10,17H2,1H3,(H,18,19)/p+1/t12-/m0/s1