[1-[1-[(2S)-3-methyl-2-phenoxy-butanoyl]piperidin-4-yl]-1,2,3-triazol-4-yl]methylazanium

Systemtic Name: [1-[1-[(2S)-3-methyl-2-phenoxy-butanoyl]piperidin-4-yl]-1,2,3-triazol-4-yl]methylazanium Openeye Name: [1-[1-[(2S)-3-methyl-2-phenoxy-butanoyl]-4-piperidyl]triazol-4-yl]methylammonium CAS Name: [1-[1-[(2S)-3-methyl-1-oxo-2-phenoxybutyl]-4-piperidinyl]-4-triazolyl]methylammonium IUPAC Name: [1-[1-[(2S)-3-methyl-2-phenoxybutanoyl]piperidin-4-yl]triazol-4-yl]methylazanium Traditional Name: [1-[1-[(2S)-3-methyl-2-phenoxy-butanoyl]-4-piperidyl]triazol-4-yl]methylammonium Formula: C19H28N5O2+ MolecularWeight: 358.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(CC1)N2C=C(N=N2)C[NH3+])OC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)N1CCC(CC1)N2C=C(N=N2)C[NH3+])OC3=CC=CC=C3

InChI

InChI=1S/C19H27N5O2/c1-14(2)18(26-17-6-4-3-5-7-17)19(25)23-10-8-16(9-11-23)24-13-15(12-20)21-22-24/h3-7,13-14,16,18H,8-12,20H2,1-2H3/p+1/t18-/m0/s1