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

Systemtic Name: 1-butyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine Openeye Name: 1-butyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methyl-pyrazol-3-amine CAS Name: 1-butyl-N-[[4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl]-5-methyl-3-pyrazolamine IUPAC Name: 1-butyl-N-[[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]-5-methylpyrazol-3-amine Traditional Name: (1-butyl-5-methyl-pyrazol-3-yl)-[4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]amine Formula: C22H35N4O+ MolecularWeight: 371.5395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

Isomeric SMILES

CCCCN1C(=CC(=N1)NCC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3)C

InChI

InChI=1S/C22H34N4O/c1-4-5-13-26-18(2)14-22(24-26)23-16-19-9-10-21(27-3)20(15-19)17-25-11-7-6-8-12-25/h9-10,14-15H,4-8,11-13,16-17H2,1-3H3,(H,23,24)/p+1