[(3S)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Openeye Name: (1-isopropylpyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium CAS Name: [(3S)-1-methyl-3-piperidin-1-iumyl]methyl-phenethyl-[(1-propan-2-yl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(3S)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-[(1-propan-2-ylpyrazol-4-yl)methyl]azanium Traditional Name: (1-isopropylpyrazol-4-yl)methyl-[[(3S)-1-methylpiperidin-1-ium-3-yl]methyl]-phenethyl-ammonium Formula: C22H36N4+2 MolecularWeight: 356.54804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C[NH+](CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC(C)N1C=C(C=N1)C[NH+](CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H34N4/c1-19(2)26-18-22(14-23-26)17-25(13-11-20-8-5-4-6-9-20)16-21-10-7-12-24(3)15-21/h4-6,8-9,14,18-19,21H,7,10-13,15-17H2,1-3H3/p+2/t21-/m0/s1