1-methyl-1-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carbaldehyde

Systemtic Name: 1-methyl-1-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carbaldehyde Openeye Name: 1-methyl-1-[4-[3-(1-piperidylmethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carbaldehyde CAS Name: 1-methyl-1-[4-[3-(1-piperidinylmethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carboxaldehyde IUPAC Name: 1-methyl-1-[4-[3-(piperidin-1-ylmethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carbaldehyde Traditional Name: 1-methyl-1-[4-[3-(piperidinomethyl)phenoxy]butylamino]-1,2,4-triazol-1-ium-3-carbaldehyde Formula: C20H30N5O2+ MolecularWeight: 372.4845

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C=NC(=N1)C=O)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

Isomeric SMILES

C[N+]1(C=NC(=N1)C=O)NCCCCOC2=CC=CC(=C2)CN3CCCCC3

InChI

InChI=1S/C20H30N5O2/c1-25(17-21-20(16-26)23-25)22-10-3-6-13-27-19-9-7-8-18(14-19)15-24-11-4-2-5-12-24/h7-9,14,16-17,22H,2-6,10-13,15H2,1H3/q+1