[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]methanone

Systemtic Name: [(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]methanone Openeye Name: [(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone CAS Name: [(2S)-4-methyl-2-propan-2-yl-1-piperazin-4-iumyl]-[1-(3-phenylpropyl)-4-triazolyl]methanone IUPAC Name: [(2S)-4-methyl-2-propan-2-ylpiperazin-4-ium-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone Traditional Name: [(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]-[1-(3-phenylpropyl)triazol-4-yl]methanone Formula: C20H30N5O+ MolecularWeight: 356.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C[NH+](CCN1C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)[C@H]1C[NH+](CCN1C(=O)C2=CN(N=N2)CCCC3=CC=CC=C3)C

InChI

InChI=1S/C20H29N5O/c1-16(2)19-15-23(3)12-13-25(19)20(26)18-14-24(22-21-18)11-7-10-17-8-5-4-6-9-17/h4-6,8-9,14,16,19H,7,10-13,15H2,1-3H3/p+1/t19-/m1/s1