N,N-dimethyl-4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]aniline

Systemtic Name: N,N-dimethyl-4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]aniline Openeye Name: N,N-dimethyl-4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]aniline CAS Name: N,N-dimethyl-4-[(S)-1-piperazin-4-iumyl(3-pyridinyl)methyl]aniline IUPAC Name: N,N-dimethyl-4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]aniline Traditional Name: dimethyl-[4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]phenyl]amine Formula: C18H25N4+ MolecularWeight: 297.4179

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CN=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@@H](C2=CN=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C18H24N4/c1-21(2)17-7-5-15(6-8-17)18(16-4-3-9-20-14-16)22-12-10-19-11-13-22/h3-9,14,18-19H,10-13H2,1-2H3/p+1/t18-/m0/s1