[(2S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol

Systemtic Name: [(2S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol Openeye Name: [(2S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-2-yl]methanol CAS Name: [(2S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-2-piperidin-1-iumyl]methanol IUPAC Name: [(2S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-2-yl]methanol Traditional Name: [(2S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-2-yl]methanol Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C=CC[NH+]2CCCCC2CO

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCCC[C@H]2CO

InChI

InChI=1S/C17H26N2O/c1-18(2)16-10-8-15(9-11-16)6-5-13-19-12-4-3-7-17(19)14-20/h5-6,8-11,17,20H,3-4,7,12-14H2,1-2H3/p+1/b6-5+/t17-/m0/s1