4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 4-chloranyl-3-(2-oxidanylidenepyrrolidin-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide CAS Name: 4-chloro-3-(2-oxo-1-pyrrolidinyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-chloro-3-(2-oxopyrrolidin-1-yl)benzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-4-chloro-3-(2-ketopyrrolidino)benzamide Formula: C22H25ClN3O2+ MolecularWeight: 398.9058

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)NC3CC[NH+](C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CC(=O)N(C1)C2=C(C=CC(=C2)C(=O)N[C@H]3CC[NH+](C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H24ClN3O2/c23-19-9-8-17(13-20(19)26-11-4-7-21(26)27)22(28)24-18-10-12-25(15-18)14-16-5-2-1-3-6-16/h1-3,5-6,8-9,13,18H,4,7,10-12,14-15H2,(H,24,28)/p+1/t18-/m0/s1