N-methylmethanamine; 1-methyl-1-octyl-3-(1-phenylethenyl)indol-1-ium

Systemtic Name: N-methylmethanamine; 1-methyl-1-octyl-3-(1-phenylethenyl)indol-1-ium Openeye Name: N-methylmethanamine; 1-methyl-1-octyl-3-(1-phenylvinyl)indol-1-ium CAS Name: N-methylmethanamine; 1-methyl-1-octyl-3-(1-phenylethenyl)indol-1-ium IUPAC Name: N-methylmethanamine; 1-methyl-1-octyl-3-(1-phenylethenyl)indol-1-ium Traditional Name: dimethylamine; 1-methyl-1-octyl-3-(1-phenylvinyl)indol-1-ium Formula: C27H39N2+ MolecularWeight: 391.61196

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C(=C)C3=CC=CC=C3)C.CNC

Isomeric SMILES

CCCCCCCC[N+]1(C=C(C2=CC=CC=C21)C(=C)C3=CC=CC=C3)C.CNC

InChI

InChI=1S/C25H32N.C2H7N/c1-4-5-6-7-8-14-19-26(3)20-24(23-17-12-13-18-25(23)26)21(2)22-15-10-9-11-16-22;1-3-2/h9-13,15-18,20H,2,4-8,14,19H2,1,3H3;3H,1-2H3/q+1;