(2-methyl-1-benzothiophen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium

Systemtic Name: (2-methyl-1-benzothiophen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Openeye Name: (2-methylbenzothiophen-3-yl)methyl-[(3S)-1-pyrimidin-2-yl-3-piperidyl]ammonium CAS Name: (2-methyl-1-benzothiophen-3-yl)methyl-[(3S)-1-(2-pyrimidinyl)-3-piperidinyl]ammonium IUPAC Name: (2-methyl-1-benzothiophen-3-yl)methyl-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]azanium Traditional Name: (2-methylbenzothiophen-3-yl)methyl-[(3S)-1-(2-pyrimidyl)-3-piperidyl]ammonium Formula: C19H23N4S+ MolecularWeight: 339.47772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2S1)C[NH2+]C3CCCN(C3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C2=CC=CC=C2S1)C[NH2+][C@H]3CCCN(C3)C4=NC=CC=N4

InChI

InChI=1S/C19H22N4S/c1-14-17(16-7-2-3-8-18(16)24-14)12-22-15-6-4-11-23(13-15)19-20-9-5-10-21-19/h2-3,5,7-10,15,22H,4,6,11-13H2,1H3/p+1/t15-/m0/s1