4-cyanobutyl-[2-[(4-methoxyphenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl]-methyl-azanium

Systemtic Name: 4-cyanobutyl-[2-[(4-methoxyphenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl]-methyl-azanium Openeye Name: 4-cyanobutyl-[2-[(4-methoxyphenyl)methyl-pyridin-1-ium-2-yl-amino]ethyl]-methyl-ammonium CAS Name: 4-cyanobutyl-[2-[(4-methoxyphenyl)methyl-(2-pyridin-1-iumyl)amino]ethyl]-methylammonium IUPAC Name: 4-cyanobutyl-[2-[(4-methoxyphenyl)methyl-pyridin-1-ium-2-ylamino]ethyl]-methylazanium Traditional Name: 4-cyanobutyl-methyl-[2-[p-anisyl(pyridin-1-ium-2-yl)amino]ethyl]ammonium Formula: C21H30N4O+2 MolecularWeight: 354.4891

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCCC#N)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=[NH+]2

Isomeric SMILES

C[NH+](CCCCC#N)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=[NH+]2

InChI

InChI=1S/C21H28N4O/c1-24(15-7-3-5-13-22)16-17-25(21-8-4-6-14-23-21)18-19-9-11-20(26-2)12-10-19/h4,6,8-12,14H,3,5,7,15-18H2,1-2H3/p+2