[1-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone

Systemtic Name: [1-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]-1,2,3-triazol-4-yl]-piperidin-1-yl-methanone Openeye Name: [1-[(3S)-1-isobutylpiperidin-1-ium-3-yl]triazol-4-yl]-(1-piperidyl)methanone CAS Name: [1-[(3S)-1-(2-methylpropyl)-3-piperidin-1-iumyl]-4-triazolyl]-(1-piperidinyl)methanone IUPAC Name: [1-[(3S)-1-(2-methylpropyl)piperidin-1-ium-3-yl]triazol-4-yl]-piperidin-1-ylmethanone Traditional Name: [1-[(3S)-1-isobutylpiperidin-1-ium-3-yl]triazol-4-yl]-piperidino-methanone Formula: C17H30N5O+ MolecularWeight: 320.453

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCCC(C1)N2C=C(N=N2)C(=O)N3CCCCC3

Isomeric SMILES

CC(C)C[NH+]1CCC[C@@H](C1)N2C=C(N=N2)C(=O)N3CCCCC3

InChI

InChI=1S/C17H29N5O/c1-14(2)11-20-8-6-7-15(12-20)22-13-16(18-19-22)17(23)21-9-4-3-5-10-21/h13-15H,3-12H2,1-2H3/p+1/t15-/m0/s1