5-chloranyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1-(phenylmethyl)benzimidazole

Systemtic Name: 5-chloranyl-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-1-(phenylmethyl)benzimidazole Openeye Name: 1-benzyl-5-chloro-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzimidazole CAS Name: 5-chloro-2-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-1-(phenylmethyl)benzimidazole IUPAC Name: 1-benzyl-5-chloro-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzimidazole Traditional Name: 1-benzyl-5-chloro-2-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]benzimidazole Formula: C21H27ClN4+2 MolecularWeight: 370.91888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25ClN4/c1-2-24-10-12-25(13-11-24)16-21-23-19-14-18(22)8-9-20(19)26(21)15-17-6-4-3-5-7-17/h3-9,14H,2,10-13,15-16H2,1H3/p+2