(1-ethylpiperidin-1-ium-4-yl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium

Systemtic Name: (1-ethylpiperidin-1-ium-4-yl)-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methyl]azanium Openeye Name: (1-ethylpiperidin-1-ium-4-yl)-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium CAS Name: (1-ethyl-4-piperidin-1-iumyl)-[(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: (1-ethylpiperidin-1-ium-4-yl)-[(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyl]ammonium Formula: C21H28N4S+2 MolecularWeight: 368.53882

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)[NH2+]CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H26N4S/c1-2-24-12-10-18(11-13-24)22-15-17-16-25(19-7-4-3-5-8-19)23-21(17)20-9-6-14-26-20/h3-9,14,16,18,22H,2,10-13,15H2,1H3/p+2