(3S)-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine

Systemtic Name: (3S)-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine Openeye Name: (3S)-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-pyrimidin-2-yl-piperidin-3-amine CAS Name: (3S)-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-(2-pyrimidinyl)-3-piperidinamine IUPAC Name: (3S)-N-[(3-ethyl-1H-imidazol-3-ium-2-yl)methyl]-1-pyrimidin-2-ylpiperidin-3-amine Traditional Name: (3-ethyl-1H-imidazol-3-ium-2-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]amine Formula: C15H23N6+ MolecularWeight: 287.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(NC=C1)CNC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC[N+]1=C(NC=C1)CN[C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C15H22N6/c1-2-20-10-8-16-14(20)11-19-13-5-3-9-21(12-13)15-17-6-4-7-18-15/h4,6-8,10,13,19H,2-3,5,9,11-12H2,1H3/p+1/t13-/m0/s1