[(2S)-4-methyl-2-phenyl-piperazin-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: [(2S)-4-methyl-2-phenyl-piperazin-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)-1,2,3-triazol-4-yl]methanone Openeye Name: [(2S)-4-methyl-2-phenyl-piperazin-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone CAS Name: [(2S)-4-methyl-2-phenyl-1-piperazinyl]-[1-[2-(1-piperidin-1-iumyl)ethyl]-4-triazolyl]methanone IUPAC Name: [(2S)-4-methyl-2-phenylpiperazin-1-yl]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone Traditional Name: [(2S)-4-methyl-2-phenyl-piperazino]-[1-(2-piperidin-1-ium-1-ylethyl)triazol-4-yl]methanone Formula: C21H31N6O+ MolecularWeight: 383.51044

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(C(C1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

Isomeric SMILES

CN1CCN([C@H](C1)C2=CC=CC=C2)C(=O)C3=CN(N=N3)CC[NH+]4CCCCC4

InChI

InChI=1S/C21H30N6O/c1-24-12-15-27(20(17-24)18-8-4-2-5-9-18)21(28)19-16-26(23-22-19)14-13-25-10-6-3-7-11-25/h2,4-5,8-9,16,20H,3,6-7,10-15,17H2,1H3/p+1/t20-/m1/s1