4-[4-[(2R)-1-(azepan-1-ium-1-yl)propan-2-yl]piperazin-1-yl]aniline

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCCC1)N2CCN(CC2)C3=CC=C(C=C3)N

Isomeric SMILES

C[C@H](C[NH+]1CCCCCC1)N2CCN(CC2)C3=CC=C(C=C3)N

InChI

InChI=1S/C19H32N4/c1-17(16-21-10-4-2-3-5-11-21)22-12-14-23(15-13-22)19-8-6-18(20)7-9-19/h6-9,17H,2-5,10-16,20H2,1H3/p+1/t17-/m1/s1