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

Systemtic Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(pyridin-4-yl)methyl]phenyl]methyl]azanium Openeye Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(4-pyridyl)methyl]phenyl]methyl]ammonium CAS Name: dimethyl-[[4-[(S)-1-piperazin-4-iumyl(pyridin-4-yl)methyl]phenyl]methyl]ammonium IUPAC Name: dimethyl-[[4-[(S)-piperazin-4-ium-1-yl(pyridin-4-yl)methyl]phenyl]methyl]azanium Traditional Name: dimethyl-[4-[(S)-piperazin-4-ium-1-yl(4-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=CC=NC=C2)N3CC[NH2+]CC3

Isomeric SMILES

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

InChI

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