1-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol

Systemtic Name: 1-[2-azanylidene-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol Openeye Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol CAS Name: 1-[2-imino-3-[2-(4-morpholin-4-iumyl)ethyl]-1-benzimidazolyl]-3-(3-methylphenoxy)-2-propanol IUPAC Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol Traditional Name: 1-[2-imino-3-(2-morpholin-4-ium-4-ylethyl)benzimidazol-1-yl]-3-(3-methylphenoxy)propan-2-ol Formula: C23H31N4O3+ MolecularWeight: 411.51724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN2C3=CC=CC=C3N(C2=N)CC[NH+]4CCOCC4)O

InChI

InChI=1S/C23H30N4O3/c1-18-5-4-6-20(15-18)30-17-19(28)16-27-22-8-3-2-7-21(22)26(23(27)24)10-9-25-11-13-29-14-12-25/h2-8,15,19,24,28H,9-14,16-17H2,1H3/p+1