1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine carbonate

Systemtic Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine carbonate Openeye Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]methanamine carbonate CAS Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethyl-2-indol-1-iumyl)methylideneamino]methanamine carbonate IUPAC Name: 1-(4-methoxyphenyl)-N-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methylideneamino]methanamine carbonate Traditional Name: p-anisyl-[(E)-(1,3,3-trimethylindol-1-ium-2-yl)methyleneamino]amine carbonate Formula: C41H48N6O5 MolecularWeight: 704.85702

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC=C(C=C3)OC)C)C.CC1(C2=CC=CC=C2[N+](=C1C=NNCC3=CC=C(C=C3)OC)C)C.C(=O)([O-])[O-]

Isomeric SMILES

CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/NCC3=CC=C(C=C3)OC)C.CC1(C(=[N+](C2=CC=CC=C12)C)/C=N/NCC3=CC=C(C=C3)OC)C.C(=O)([O-])[O-]

InChI

InChI=1S/2C20H23N3O.CH2O3/c2*1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15;2-1(3)4/h2*5-12,14H,13H2,1-4H3;(H2,2,3,4)