(4-propan-2-yl-1,3-thiazol-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (4-propan-2-yl-1,3-thiazol-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (4-isopropylthiazol-2-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (4-propan-2-yl-2-thiazolyl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (4-propan-2-yl-1,3-thiazol-2-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (4-isopropylthiazol-2-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C16H24N5S+ MolecularWeight: 318.46026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CSC(=N1)C[NH2+]C2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CC(C)C1=CSC(=N1)C[NH2+][C@H]2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C16H23N5S/c1-12(2)14-11-22-15(20-14)9-19-13-5-3-8-21(10-13)16-17-6-4-7-18-16/h4,6-7,11-13,19H,3,5,8-10H2,1-2H3/p+1/t13-/m0/s1