1-(4-phenethylpiperidin-1-yl)-2-[5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]ethanone

Systemtic Name: 1-(4-phenethylpiperidin-1-yl)-2-[5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,3,4-tetrazol-1-yl]ethanone Openeye Name: 1-(4-phenethyl-1-piperidyl)-2-[5-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-1-yl]ethanone CAS Name: 1-(4-phenethyl-1-piperidinyl)-2-[5-(1-pyrrolidin-1-iumylmethyl)-1-tetrazolyl]ethanone IUPAC Name: 1-(4-phenethylpiperidin-1-yl)-2-[5-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-1-yl]ethanone Traditional Name: 1-(4-phenethylpiperidino)-2-[5-(pyrrolidin-1-ium-1-ylmethyl)tetrazol-1-yl]ethanone Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=NN2CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=NN2CC(=O)N3CCC(CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C21H30N6O/c28-21(17-27-20(22-23-24-27)16-25-12-4-5-13-25)26-14-10-19(11-15-26)9-8-18-6-2-1-3-7-18/h1-3,6-7,19H,4-5,8-17H2/p+1