N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-butanamide

Systemtic Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-butanamide Openeye Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-butanamide CAS Name: N-[1-ethyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]-3-methylbutanamide IUPAC Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methylbutanamide Traditional Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-butyramide Formula: C19H29N4O2+ MolecularWeight: 345.45916

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1C[NH+]3CCOCC3

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CC(C)C)N=C1C[NH+]3CCOCC3

InChI

InChI=1S/C19H28N4O2/c1-4-23-17-6-5-15(20-19(24)11-14(2)3)12-16(17)21-18(23)13-22-7-9-25-10-8-22/h5-6,12,14H,4,7-11,13H2,1-3H3,(H,20,24)/p+1