methyl-[(1S)-1-phenylethyl]-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(1S)-1-phenylethyl]-[(1-piperidin-1-ium-4-yl-1,2,3-triazol-4-yl)methyl]azanium Openeye Name: methyl-[(1S)-1-phenylethyl]-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium CAS Name: methyl-[(1S)-1-phenylethyl]-[[1-(4-piperidin-1-iumyl)-4-triazolyl]methyl]ammonium IUPAC Name: methyl-[(1S)-1-phenylethyl]-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]azanium Traditional Name: methyl-[(1S)-1-phenylethyl]-[(1-piperidin-1-ium-4-yltriazol-4-yl)methyl]ammonium Formula: C17H27N5+2 MolecularWeight: 301.42978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[NH+](C)CC2=CN(N=N2)C3CC[NH2+]CC3

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[NH+](C)CC2=CN(N=N2)C3CC[NH2+]CC3

InChI

InChI=1S/C17H25N5/c1-14(15-6-4-3-5-7-15)21(2)12-16-13-22(20-19-16)17-8-10-18-11-9-17/h3-7,13-14,17-18H,8-12H2,1-2H3/p+2/t14-/m0/s1