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

Systemtic Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium Openeye Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]ammonium CAS Name: [4-methoxy-3-(1-piperidin-1-iumylmethyl)phenyl]methyl-[(1R)-1-(1-methyl-3-pyrazolyl)ethyl]ammonium IUPAC Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)phenyl]methyl-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]azanium Traditional Name: [4-methoxy-3-(piperidin-1-ium-1-ylmethyl)benzyl]-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]ammonium Formula: C20H32N4O+2 MolecularWeight: 344.49428

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN(C=C1)C)[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

Isomeric SMILES

C[C@H](C1=NN(C=C1)C)[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCCC3

InChI

InChI=1S/C20H30N4O/c1-16(19-9-12-23(2)22-19)21-14-17-7-8-20(25-3)18(13-17)15-24-10-5-4-6-11-24/h7-9,12-13,16,21H,4-6,10-11,14-15H2,1-3H3/p+2/t16-/m1/s1