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

Systemtic Name: 4-(benzimidazol-1-yl)-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: 4-(benzimidazol-1-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide CAS Name: 4-(1-benzimidazolyl)-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: 4-(benzimidazol-1-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Traditional Name: 4-(benzimidazol-1-yl)-N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]benzamide Formula: C25H25N4O+ MolecularWeight: 397.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](C[C@H]1NC(=O)C2=CC=C(C=C2)N3C=NC4=CC=CC=C43)CC5=CC=CC=C5

InChI

InChI=1S/C25H24N4O/c30-25(27-21-14-15-28(17-21)16-19-6-2-1-3-7-19)20-10-12-22(13-11-20)29-18-26-23-8-4-5-9-24(23)29/h1-13,18,21H,14-17H2,(H,27,30)/p+1/t21-/m0/s1