N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-pyrrol-1-yl-benzamide CAS Name: N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-pyrrol-1-yl-benzamide Formula: C22H24N3O+ MolecularWeight: 346.44546

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC(=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC(=CC=C2)N3C=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O/c26-22(19-9-6-10-21(15-19)25-12-4-5-13-25)23-20-11-14-24(17-20)16-18-7-2-1-3-8-18/h1-10,12-13,15,20H,11,14,16-17H2,(H,23,26)/p+1/t20-/m0/s1