(2S)-N-(4-fluorophenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butanamide

Systemtic Name: (2S)-N-(4-fluorophenyl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butanamide Openeye Name: (2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]butanamide CAS Name: (2S)-N-(4-fluorophenyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]butanamide IUPAC Name: (2S)-N-(4-fluorophenyl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]butanamide Traditional Name: (2S)-N-(4-fluorophenyl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]butyramide Formula: C20H30FN4O2+ MolecularWeight: 377.476203

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)F)N2CC[NH+](CC2)CC(=O)N3CCCC3

Isomeric SMILES

CC[C@@H](C(=O)NC1=CC=C(C=C1)F)N2CC[NH+](CC2)CC(=O)N3CCCC3

InChI

InChI=1S/C20H29FN4O2/c1-2-18(20(27)22-17-7-5-16(21)6-8-17)24-13-11-23(12-14-24)15-19(26)25-9-3-4-10-25/h5-8,18H,2-4,9-15H2,1H3,(H,22,27)/p+1/t18-/m0/s1