(1-methylpiperidin-1-ium-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-phenethyl-azanium

Systemtic Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-phenethyl-azanium Openeye Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-phenethyl-ammonium CAS Name: (1-methyl-4-piperidin-1-iumyl)methyl-[(1-methyl-4-pyrazolyl)methyl]-phenethylammonium IUPAC Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-phenethylazanium Traditional Name: (1-methylpiperidin-1-ium-4-yl)methyl-[(1-methylpyrazol-4-yl)methyl]-phenethyl-ammonium Formula: C20H32N4+2 MolecularWeight: 328.49488

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CN(N=C3)C

Isomeric SMILES

C[NH+]1CCC(CC1)C[NH+](CCC2=CC=CC=C2)CC3=CN(N=C3)C

InChI

InChI=1S/C20H30N4/c1-22-11-8-19(9-12-22)16-24(17-20-14-21-23(2)15-20)13-10-18-6-4-3-5-7-18/h3-7,14-15,19H,8-13,16-17H2,1-2H3/p+2