N-butyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: N-butyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-butyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-butyl-4-[(1,3,5-trimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-butyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-butyl-4-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-carboxamide Formula: C16H30N5O+ MolecularWeight: 308.4423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC[NH+](CC1)CC2=C(N(N=C2C)C)C

Isomeric SMILES

CCCCNC(=O)N1CC[NH+](CC1)CC2=C(N(N=C2C)C)C

InChI

InChI=1S/C16H29N5O/c1-5-6-7-17-16(22)21-10-8-20(9-11-21)12-15-13(2)18-19(4)14(15)3/h5-12H2,1-4H3,(H,17,22)/p+1