[1-(3-phenylpropyl)-1,2,3-triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: [1-(3-phenylpropyl)-1,2,3-triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [1-(3-phenylpropyl)triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [1-(3-phenylpropyl)-4-triazolyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [1-(3-phenylpropyl)triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: [1-(3-phenylpropyl)triazol-4-yl]-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H25N6O+ MolecularWeight: 377.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CN(N=N3)CCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O/c28-21(26-15-13-25(14-16-26)20-10-4-5-11-22-20)19-17-27(24-23-19)12-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-11,17H,6,9,12-16H2/p+1