[(2S)-3-methylbutan-2-yl]-[(4-piperidin-1-ylphenyl)methyl]azanium

Systemtic Name: [(2S)-3-methylbutan-2-yl]-[(4-piperidin-1-ylphenyl)methyl]azanium Openeye Name: [(1S)-1,2-dimethylpropyl]-[[4-(1-piperidyl)phenyl]methyl]ammonium CAS Name: [(2S)-3-methylbutan-2-yl]-[[4-(1-piperidinyl)phenyl]methyl]ammonium IUPAC Name: [(2S)-3-methylbutan-2-yl]-[(4-piperidin-1-ylphenyl)methyl]azanium Traditional Name: [(1S)-1,2-dimethylpropyl]-(4-piperidinobenzyl)ammonium Formula: C17H29N2+ MolecularWeight: 261.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)[NH2+]CC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

C[C@@H](C(C)C)[NH2+]CC1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C17H28N2/c1-14(2)15(3)18-13-16-7-9-17(10-8-16)19-11-5-4-6-12-19/h7-10,14-15,18H,4-6,11-13H2,1-3H3/p+1/t15-/m0/s1