2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]piperidin-1-ium-3-yl]propan-2-ol

Systemtic Name: 2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]piperidin-1-ium-3-yl]propan-2-ol Openeye Name: 2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]piperidin-1-ium-3-yl]propan-2-ol CAS Name: 2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]-3-piperidin-1-iumyl]-2-propanol IUPAC Name: 2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]piperidin-1-ium-3-yl]propan-2-ol Traditional Name: 2-[(3S)-1-[4-(1,2,4-triazol-1-yl)butyl]piperidin-1-ium-3-yl]propan-2-ol Formula: C14H27N4O+ MolecularWeight: 267.39038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1CCC[NH+](C1)CCCCN2C=NC=N2)O

Isomeric SMILES

CC(C)([C@H]1CCC[NH+](C1)CCCCN2C=NC=N2)O

InChI

InChI=1S/C14H26N4O/c1-14(2,19)13-6-5-8-17(10-13)7-3-4-9-18-12-15-11-16-18/h11-13,19H,3-10H2,1-2H3/p+1/t13-/m0/s1