2-chloranyl-N-[2-(morpholin-4-ium-4-ylmethyl)-1-propyl-benzimidazol-5-yl]benzamide

Systemtic Name: 2-chloranyl-N-[2-(morpholin-4-ium-4-ylmethyl)-1-propyl-benzimidazol-5-yl]benzamide Openeye Name: 2-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)-1-propyl-benzimidazol-5-yl]benzamide CAS Name: 2-chloro-N-[2-(4-morpholin-4-iumylmethyl)-1-propyl-5-benzimidazolyl]benzamide IUPAC Name: 2-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)-1-propylbenzimidazol-5-yl]benzamide Traditional Name: 2-chloro-N-[2-(morpholin-4-ium-4-ylmethyl)-1-propyl-benzimidazol-5-yl]benzamide Formula: C22H26ClN4O2+ MolecularWeight: 413.92044

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1C[NH+]4CCOCC4

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)NC(=O)C3=CC=CC=C3Cl)N=C1C[NH+]4CCOCC4

InChI

InChI=1S/C22H25ClN4O2/c1-2-9-27-20-8-7-16(24-22(28)17-5-3-4-6-18(17)23)14-19(20)25-21(27)15-26-10-12-29-13-11-26/h3-8,14H,2,9-13,15H2,1H3,(H,24,28)/p+1