[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium

Systemtic Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium Openeye Name: [(3S)-1-pyrimidin-2-yl-3-piperidyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium CAS Name: [(3S)-1-(2-pyrimidinyl)-3-piperidinyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium IUPAC Name: [(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)azanium Traditional Name: [(3S)-1-(2-pyrimidyl)-3-piperidyl]-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)ammonium Formula: C17H24N5S+ MolecularWeight: 330.47096

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)N=C(S2)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

C1CCC2=C(C1)N=C(S2)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C17H23N5S/c1-2-7-15-14(6-1)21-16(23-15)11-20-13-5-3-10-22(12-13)17-18-8-4-9-19-17/h4,8-9,13,20H,1-3,5-7,10-12H2/p+1/t13-/m0/s1