4-[4-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]piperazin-1-yl]aniline

Systemtic Name: 4-[4-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]piperazin-1-yl]aniline Openeye Name: 4-[4-[(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl]piperazin-1-yl]aniline CAS Name: 4-[4-[(2S)-1-(4-methyl-1-piperidin-1-iumyl)propan-2-yl]-1-piperazinyl]aniline IUPAC Name: 4-[4-[(2S)-1-(4-methylpiperidin-1-ium-1-yl)propan-2-yl]piperazin-1-yl]aniline Traditional Name: [4-[4-[(1S)-1-methyl-2-(4-methylpiperidin-1-ium-1-yl)ethyl]piperazino]phenyl]amine Formula: C19H33N4+ MolecularWeight: 317.49212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(C)N2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

CC1CC[NH+](CC1)C[C@H](C)N2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H32N4/c1-16-7-9-21(10-8-16)15-17(2)22-11-13-23(14-12-22)19-5-3-18(20)4-6-19/h3-6,16-17H,7-15,20H2,1-2H3/p+1/t17-/m0/s1