[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium

Systemtic Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium Openeye Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]ammonium CAS Name: [4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl-[(1-methyl-3-pyrazolyl)methyl]ammonium IUPAC Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium Traditional Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]-[(1-methylpyrazol-3-yl)methyl]ammonium Formula: C19H30N4O+2 MolecularWeight: 330.4677

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CN1C=CC(=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4O/c1-22-11-8-18(21-22)14-20-13-16-6-7-19(24-2)17(12-16)15-23-9-4-3-5-10-23/h6-8,11-12,20H,3-5,9-10,13-15H2,1-2H3/p+2