(1-methylpiperidin-1-ium-4-yl)methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-phenethyl-azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-phenethyl-ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-[(3-methyl-1-propyl-4-pyrazolyl)methyl]-phenethylammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(3-methyl-1-propylpyrazol-4-yl)methyl]-phenethylazanium Traditional Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(3-methyl-1-propyl-pyrazol-4-yl)methyl]-phenethyl-ammonium Formula: C23H38N4+2 MolecularWeight: 370.57462

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C(=N1)C)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

Isomeric SMILES

CCCN1C=C(C(=N1)C)C[NH+](CCC2=CC=CC=C2)CC3CC[NH+](CC3)C

InChI

InChI=1S/C23H36N4/c1-4-13-27-19-23(20(2)24-27)18-26(16-12-21-8-6-5-7-9-21)17-22-10-14-25(3)15-11-22/h5-9,19,22H,4,10-18H2,1-3H3/p+2