1-(2-diethylaminoethyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine

Systemtic Name: 1-(2-diethylaminoethyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine Openeye Name: 1-(2-diethylaminoethyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine CAS Name: 1-(2-diethylaminoethyl)-3-(2-phenoxyethyl)-2-benzimidazol-1-iumamine IUPAC Name: 1-(2-diethylaminoethyl)-3-(2-phenoxyethyl)benzimidazol-1-ium-2-amine Traditional Name: 2-[2-amino-3-(2-phenoxyethyl)benzimidazol-1-ium-1-yl]ethyl-diethyl-amine Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N

Isomeric SMILES

CCN(CC)CC[N+]1=C(N(C2=CC=CC=C21)CCOC3=CC=CC=C3)N

InChI

InChI=1S/C21H28N4O/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25(21(24)22)16-17-26-18-10-6-5-7-11-18/h5-13,22H,3-4,14-17H2,1-2H3/p+1