(2E)-2-[2-(4-methylpiperidin-1-ium-1-ylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole

Systemtic Name: (2E)-2-[2-(4-methylpiperidin-1-ium-1-ylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole Openeye Name: (2E)-2-[2-(4-methylpiperidin-1-ium-1-ylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole CAS Name: (2E)-2-[2-(4-methyl-1-piperidin-1-iumylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole IUPAC Name: (2E)-2-[2-(4-methylpiperidin-1-ium-1-ylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole Traditional Name: (2E)-2-[2-(4-methylpiperidin-1-ium-1-ylidene)ethylidene]-3,5-diphenyl-1,3-benzoxazole Formula: C27H27N2O+ MolecularWeight: 395.51608

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[N+](=CC=C2N(C3=C(O2)C=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)CC1

Isomeric SMILES

CC1CC[N+](=C/C=C/2\N(C3=C(O2)C=CC(=C3)C4=CC=CC=C4)C5=CC=CC=C5)CC1

InChI

InChI=1S/C27H27N2O/c1-21-14-17-28(18-15-21)19-16-27-29(24-10-6-3-7-11-24)25-20-23(12-13-26(25)30-27)22-8-4-2-5-9-22/h2-13,16,19-21H,14-15,17-18H2,1H3/q+1