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

Systemtic Name: [(3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-3-yl]methanol Openeye Name: [(3S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-3-yl]methanol CAS Name: [(3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]-3-piperidin-1-iumyl]methanol IUPAC Name: [(3S)-1-[(E)-3-(4-dimethylaminophenyl)prop-2-enyl]piperidin-1-ium-3-yl]methanol Traditional Name: [(3S)-1-[(E)-3-(4-dimethylaminophenyl)allyl]piperidin-1-ium-3-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+]2CCCC(C2)CO

Isomeric SMILES

CN(C)C1=CC=C(C=C1)/C=C/C[NH+]2CCC[C@@H](C2)CO

InChI

InChI=1S/C17H26N2O/c1-18(2)17-9-7-15(8-10-17)5-3-11-19-12-4-6-16(13-19)14-20/h3,5,7-10,16,20H,4,6,11-14H2,1-2H3/p+1/b5-3+/t16-/m0/s1