N-(4-methoxyphenyl)-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]methyl]piperidine-1-carboxamide

Systemtic Name: N-(4-methoxyphenyl)-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3-triazol-1-yl]methyl]piperidine-1-carboxamide Openeye Name: N-(4-methoxyphenyl)-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide CAS Name: N-(4-methoxyphenyl)-4-[[4-(1-pyrrolidin-1-iumylmethyl)-1-triazolyl]methyl]-1-piperidinecarboxamide IUPAC Name: N-(4-methoxyphenyl)-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide Traditional Name: N-(4-methoxyphenyl)-4-[[4-(pyrrolidin-1-ium-1-ylmethyl)triazol-1-yl]methyl]piperidine-1-carboxamide Formula: C21H31N6O2+ MolecularWeight: 399.50984

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)CN3C=C(N=N3)C[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2CCC(CC2)CN3C=C(N=N3)C[NH+]4CCCC4

InChI

InChI=1S/C21H30N6O2/c1-29-20-6-4-18(5-7-20)22-21(28)26-12-8-17(9-13-26)14-27-16-19(23-24-27)15-25-10-2-3-11-25/h4-7,16-17H,2-3,8-15H2,1H3,(H,22,28)/p+1