1-[4-(diethylamino)-2-octoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one

Systemtic Name: 1-[4-(diethylamino)-2-octoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one Openeye Name: 1-[4-(diethylamino)-2-octoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)-2,1-benzoxazol-1-ium-3-one CAS Name: 1-[4-(diethylamino)-2-octoxyphenyl]-1-(1-ethyl-2-methyl-3-indolyl)-2,1-benzoxazol-1-ium-3-one IUPAC Name: 1-[4-(diethylamino)-2-octoxyphenyl]-1-(1-ethyl-2-methylindol-3-yl)-2,1-benzoxazol-1-ium-3-one Traditional Name: 1-[4-(diethylamino)-2-octoxy-phenyl]-1-(1-ethyl-2-methyl-indol-3-yl)anthranil-1-ium-3-one Formula: C36H46N3O3+ MolecularWeight: 568.76874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=CC(=C1)N(CC)CC)[N+]2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C

Isomeric SMILES

CCCCCCCCOC1=C(C=CC(=C1)N(CC)CC)[N+]2(C3=CC=CC=C3C(=O)O2)C4=C(N(C5=CC=CC=C54)CC)C

InChI

InChI=1S/C36H46N3O3/c1-6-10-11-12-13-18-25-41-34-26-28(37(7-2)8-3)23-24-33(34)39(32-22-17-15-20-30(32)36(40)42-39)35-27(5)38(9-4)31-21-16-14-19-29(31)35/h14-17,19-24,26H,6-13,18,25H2,1-5H3/q+1