(2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (2-chloranyl-6-fluoranyl-phenyl)methyl-methyl-[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (2-chloro-6-fluoro-phenyl)methyl-methyl-[2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl]ammonium CAS Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl]ammonium IUPAC Name: (2-chloro-6-fluorophenyl)methyl-methyl-[2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl]azanium Traditional Name: (2-chloro-6-fluoro-benzyl)-[2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl]-methyl-ammonium Formula: C21H26ClFN3O+ MolecularWeight: 390.902043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=C(C=CC=C2Cl)F)N3CCCC3

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C[NH+](C)CC2=C(C=CC=C2Cl)F)N3CCCC3

InChI

InChI=1S/C21H25ClFN3O/c1-15-12-16(8-9-20(15)26-10-3-4-11-26)24-21(27)14-25(2)13-17-18(22)6-5-7-19(17)23/h5-9,12H,3-4,10-11,13-14H2,1-2H3,(H,24,27)/p+1