[1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium

Systemtic Name: [1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Openeye Name: [1-[3-(2-methylpyrimidin-4-yl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium CAS Name: [1-[3-(2-methyl-4-pyrimidinyl)phenyl]-4-piperidinyl]-(2-thiophen-2-ylethyl)ammonium IUPAC Name: [1-[3-(2-methylpyrimidin-4-yl)phenyl]piperidin-4-yl]-(2-thiophen-2-ylethyl)azanium Traditional Name: [1-[3-(2-methylpyrimidin-4-yl)phenyl]-4-piperidyl]-[2-(2-thienyl)ethyl]ammonium Formula: C22H27N4S+ MolecularWeight: 379.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CCC4=CC=CS4

Isomeric SMILES

CC1=NC=CC(=N1)C2=CC(=CC=C2)N3CCC(CC3)[NH2+]CCC4=CC=CS4

InChI

InChI=1S/C22H26N4S/c1-17-23-12-8-22(25-17)18-4-2-5-20(16-18)26-13-9-19(10-14-26)24-11-7-21-6-3-15-27-21/h2-6,8,12,15-16,19,24H,7,9-11,13-14H2,1H3/p+1