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

Systemtic Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium Openeye Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]ammonium CAS Name: [4-methoxy-3-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl-[(1-methyl-3-pyrazolyl)methyl]ammonium IUPAC Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl-[(1-methylpyrazol-3-yl)methyl]azanium Traditional Name: [4-methoxy-3-(pyrrolidin-1-ium-1-ylmethyl)benzyl]-[(1-methylpyrazol-3-yl)methyl]ammonium Formula: C18H28N4O+2 MolecularWeight: 316.44112

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

Isomeric SMILES

CN1C=CC(=N1)C[NH2+]CC2=CC(=C(C=C2)OC)C[NH+]3CCCC3

InChI

InChI=1S/C18H26N4O/c1-21-10-7-17(20-21)13-19-12-15-5-6-18(23-2)16(11-15)14-22-8-3-4-9-22/h5-7,10-11,19H,3-4,8-9,12-14H2,1-2H3/p+2