1-cyano-3-(1-methylpyridin-1-ium-4-yl)-2-(6-phenylhexyl)guanidine

Systemtic Name: 1-cyano-3-(1-methylpyridin-1-ium-4-yl)-2-(6-phenylhexyl)guanidine Openeye Name: 1-cyano-3-(1-methylpyridin-1-ium-4-yl)-2-(6-phenylhexyl)guanidine CAS Name: 1-cyano-3-(1-methyl-4-pyridin-1-iumyl)-2-(6-phenylhexyl)guanidine IUPAC Name: 1-cyano-3-(1-methylpyridin-1-ium-4-yl)-2-(6-phenylhexyl)guanidine Traditional Name: 1-cyano-3-(1-methylpyridin-1-ium-4-yl)-2-(6-phenylhexyl)guanidine Formula: C20H26N5+ MolecularWeight: 336.45394

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)NC(=NCCCCCCC2=CC=CC=C2)NC#N

Isomeric SMILES

C[N+]1=CC=C(C=C1)NC(=NCCCCCCC2=CC=CC=C2)NC#N

InChI

InChI=1S/C20H25N5/c1-25-15-12-19(13-16-25)24-20(23-17-21)22-14-8-3-2-5-9-18-10-6-4-7-11-18/h4,6-7,10-13,15-16H,2-3,5,8-9,14H2,1H3,(H,22,23)/p+1