N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: N-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]-3-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: N-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C21H32N5O+ MolecularWeight: 370.51168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C)C)CCC(=O)NCC[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H31N5O/c1-17-20(18(2)24(3)23-17)9-10-21(27)22-11-12-25-13-15-26(16-14-25)19-7-5-4-6-8-19/h4-8H,9-16H2,1-3H3,(H,22,27)/p+1