methyl-(phenylmethyl)-[3-(pyridin-1-ium-4-ylamino)propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-(pyridin-1-ium-4-ylamino)propyl]azanium Openeye Name: benzyl-methyl-[3-(pyridin-1-ium-4-ylamino)propyl]ammonium CAS Name: methyl-(phenylmethyl)-[3-(4-pyridin-1-iumylamino)propyl]ammonium IUPAC Name: benzyl-methyl-[3-(pyridin-1-ium-4-ylamino)propyl]azanium Traditional Name: benzyl-methyl-[3-(pyridin-1-ium-4-ylamino)propyl]ammonium Formula: C16H23N3+2 MolecularWeight: 257.37392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC1=CC=[NH+]C=C1)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC1=CC=[NH+]C=C1)CC2=CC=CC=C2

InChI

InChI=1S/C16H21N3/c1-19(14-15-6-3-2-4-7-15)13-5-10-18-16-8-11-17-12-9-16/h2-4,6-9,11-12H,5,10,13-14H2,1H3,(H,17,18)/p+2