N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethyl-pyrazol-3-amine

Systemtic Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethyl-pyrazol-3-amine Openeye Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethyl-pyrazol-3-amine CAS Name: N-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-1,5-dimethyl-3-pyrazolamine IUPAC Name: N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-1,5-dimethylpyrazol-3-amine Traditional Name: (1,5-dimethylpyrazol-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C19H29N4O+ MolecularWeight: 329.45976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC(=NN1C)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C19H28N4O/c1-15-11-19(21-22(15)2)20-13-16-7-8-18(24-3)17(12-16)14-23-9-5-4-6-10-23/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3,(H,20,21)/p+1