dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]methyl]azanium

Systemtic Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[(S)-1-piperazin-4-iumyl(3-pyridinyl)methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(pyridin-3-yl)methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[(S)-piperazin-4-ium-1-yl(3-pyridyl)methyl]benzyl]ammonium Formula: C19H28N4+2 MolecularWeight: 312.45242

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=CC=C(C=C1)C(C2=CN=CC=C2)N3CC[NH2+]CC3

Isomeric SMILES

C[NH+](C)CC1=CC=C(C=C1)[C@@H](C2=CN=CC=C2)N3CC[NH2+]CC3

InChI

InChI=1S/C19H26N4/c1-22(2)15-16-5-7-17(8-6-16)19(18-4-3-9-21-14-18)23-12-10-20-11-13-23/h3-9,14,19-20H,10-13,15H2,1-2H3/p+2/t19-/m0/s1