[(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Openeye Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: [(1S)-1-(5-methyl-1-phenyl-4-pyrazolyl)ethyl]-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: [(1S)-1-(5-methyl-1-phenyl-pyrazol-4-yl)ethyl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C25H34N4+2 MolecularWeight: 390.56426

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(C)[NH2+]C3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)[NH2+]C3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H32N4/c1-20(25-19-26-29(21(25)2)24-11-7-4-8-12-24)27-23-14-17-28(18-15-23)16-13-22-9-5-3-6-10-22/h3-12,19-20,23,27H,13-18H2,1-2H3/p+2/t20-/m0/s1