N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine

Systemtic Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine Openeye Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-yl-ethanamine CAS Name: N-[(1-phenyl-4-pyrazolyl)methyl]-2-(1-pyrrolidin-1-iumyl)ethanamine IUPAC Name: N-[(1-phenylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ium-1-ylethanamine Traditional Name: (1-phenylpyrazol-4-yl)methyl-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C16H23N4+ MolecularWeight: 271.38062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCNCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCNCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H22N4/c1-2-6-16(7-3-1)20-14-15(13-18-20)12-17-8-11-19-9-4-5-10-19/h1-3,6-7,13-14,17H,4-5,8-12H2/p+1