N-tert-butyl-2-[4-[(2-oxidanylidene-3-propyl-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(2-oxidanylidene-3-propyl-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(2-oxo-3-propyl-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(2-oxo-3-propyl-1-benzimidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(2-oxo-3-propylbenzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(2-keto-3-propyl-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H35N5O2+2 MolecularWeight: 389.5349

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N(C1=O)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N5O2/c1-5-10-25-17-8-6-7-9-18(17)26(20(25)28)16-24-13-11-23(12-14-24)15-19(27)22-21(2,3)4/h6-9H,5,10-16H2,1-4H3,(H,22,27)/p+2