3-chloranyl-N-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]benzamide

Systemtic Name: 3-chloranyl-N-[2-oxidanylidene-2-[[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]amino]ethyl]benzamide Openeye Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxo-ethyl]-3-chloro-benzamide CAS Name: 3-chloro-N-[2-oxo-2-[[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]amino]ethyl]benzamide IUPAC Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-oxoethyl]-3-chlorobenzamide Traditional Name: N-[2-[[(3S)-1-benzylpyrrolidin-1-ium-3-yl]amino]-2-keto-ethyl]-3-chloro-benzamide Formula: C20H23ClN3O2+ MolecularWeight: 372.86852

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)CNC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C20H22ClN3O2/c21-17-8-4-7-16(11-17)20(26)22-12-19(25)23-18-9-10-24(14-18)13-15-5-2-1-3-6-15/h1-8,11,18H,9-10,12-14H2,(H,22,26)(H,23,25)/p+1/t18-/m0/s1