2-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline

Systemtic Name: 2-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Openeye Name: 2-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline CAS Name: 2-methyl-4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]aniline IUPAC Name: 2-methyl-4-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methyl]aniline Traditional Name: [2-methyl-4-[(4-pyridin-1-ium-2-ylpiperazino)methyl]phenyl]amine Formula: C17H23N4+ MolecularWeight: 283.39132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)N

Isomeric SMILES

CC1=C(C=CC(=C1)CN2CCN(CC2)C3=CC=CC=[NH+]3)N

InChI

InChI=1S/C17H22N4/c1-14-12-15(5-6-16(14)18)13-20-8-10-21(11-9-20)17-4-2-3-7-19-17/h2-7,12H,8-11,13,18H2,1H3/p+1