(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (5-chloranyl-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-azanium Openeye Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium CAS Name: (5-chloro-1,3-dimethyl-4-pyrazolyl)methyl-[(1-methyl-4-piperidin-1-iumyl)methyl]-phenethylammonium IUPAC Name: (5-chloro-1,3-dimethylpyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethylazanium Traditional Name: (5-chloro-1,3-dimethyl-pyrazol-4-yl)methyl-[(1-methylpiperidin-1-ium-4-yl)methyl]-phenethyl-ammonium Formula: C21H33ClN4+2 MolecularWeight: 376.96652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C)Cl)C

InChI

InChI=1S/C21H31ClN4/c1-17-20(21(22)25(3)23-17)16-26(14-11-18-7-5-4-6-8-18)15-19-9-12-24(2)13-10-19/h4-8,19H,9-16H2,1-3H3/p+2