N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: (1-phenylpyrazol-4-yl)methyl-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C17H25N4+ MolecularWeight: 285.4072

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCCNCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C17H24N4/c1-2-7-17(8-3-1)21-15-16(14-19-21)13-18-9-6-12-20-10-4-5-11-20/h1-3,7-8,14-15,18H,4-6,9-13H2/p+1