2-[4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-[[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]methyl]piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]methyl]-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-[(1-benzyl-5-chlorobenzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-[(1-benzyl-5-chloro-benzimidazol-2-yl)methyl]piperazin-1-ium-1-yl]acetamide Formula: C24H29ClN5O+ MolecularWeight: 438.97296

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)C[NH+]1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

Isomeric SMILES

C=CCNC(=O)C[NH+]1CCN(CC1)CC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)Cl

InChI

InChI=1S/C24H28ClN5O/c1-2-10-26-24(31)18-29-13-11-28(12-14-29)17-23-27-21-15-20(25)8-9-22(21)30(23)16-19-6-4-3-5-7-19/h2-9,15H,1,10-14,16-18H2,(H,26,31)/p+1