2-[2-azanylidene-3-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium

Systemtic Name: 2-[2-azanylidene-3-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]benzimidazol-1-yl]ethyl-diethyl-azanium Openeye Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium CAS Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-2-imino-1-benzimidazolyl]ethyl]ammonium IUPAC Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-2-iminobenzimidazol-1-yl]ethyl]azanium Traditional Name: diethyl-[2-[3-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-2-imino-benzimidazol-1-yl]ethyl]ammonium Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)CC(COC3=CC=CC=C3C)O

Isomeric SMILES

CC[NH+](CC)CCN1C2=CC=CC=C2N(C1=N)C[C@@H](COC3=CC=CC=C3C)O

InChI

InChI=1S/C23H32N4O2/c1-4-25(5-2)14-15-26-20-11-7-8-12-21(20)27(23(26)24)16-19(28)17-29-22-13-9-6-10-18(22)3/h6-13,19,24,28H,4-5,14-17H2,1-3H3/p+1/t19-/m0/s1