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

Systemtic Name: [(3S)-1-ethylpyrrolidin-1-ium-3-yl]-[4-(4-phenyl-1,2,3-triazol-1-yl)piperidin-1-yl]methanone Openeye Name: [(3S)-1-ethylpyrrolidin-1-ium-3-yl]-[4-(4-phenyltriazol-1-yl)-1-piperidyl]methanone CAS Name: [(3S)-1-ethyl-3-pyrrolidin-1-iumyl]-[4-(4-phenyl-1-triazolyl)-1-piperidinyl]methanone IUPAC Name: [(3S)-1-ethylpyrrolidin-1-ium-3-yl]-[4-(4-phenyltriazol-1-yl)piperidin-1-yl]methanone Traditional Name: [(3S)-1-ethylpyrrolidin-1-ium-3-yl]-[4-(4-phenyltriazol-1-yl)piperidino]methanone Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)C(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CC[C@@H](C1)C(=O)N2CCC(CC2)N3C=C(N=N3)C4=CC=CC=C4

InChI

InChI=1S/C20H27N5O/c1-2-23-11-8-17(14-23)20(26)24-12-9-18(10-13-24)25-15-19(21-22-25)16-6-4-3-5-7-16/h3-7,15,17-18H,2,8-14H2,1H3/p+1/t17-/m0/s1