5-chloranyl-1-(phenylmethyl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzimidazole

Systemtic Name: 5-chloranyl-1-(phenylmethyl)-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzimidazole CAS Name: 5-chloro-1-(phenylmethyl)-2-[(1S)-1-(1-pyrrolidin-1-iumyl)ethyl]benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(1S)-1-pyrrolidin-1-ium-1-ylethyl]benzimidazole Formula: C20H23ClN3+ MolecularWeight: 340.86972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)[NH+]4CCCC4

Isomeric SMILES

C[C@@H](C1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl)[NH+]4CCCC4

InChI

InChI=1S/C20H22ClN3/c1-15(23-11-5-6-12-23)20-22-18-13-17(21)9-10-19(18)24(20)14-16-7-3-2-4-8-16/h2-4,7-10,13,15H,5-6,11-12,14H2,1H3/p+1/t15-/m0/s1