(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine

Systemtic Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-yl-piperidine Openeye Name: (3S)-1-[(E)-3-(4-methoxyphenyl)allyl]-3-pyrrolidin-1-ium-1-yl-piperidine CAS Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-(1-pyrrolidin-1-iumyl)piperidine IUPAC Name: (3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-3-pyrrolidin-1-ium-1-ylpiperidine Traditional Name: (3S)-1-[(E)-3-(4-methoxyphenyl)allyl]-3-pyrrolidin-1-ium-1-yl-piperidine Formula: C19H29N2O+ MolecularWeight: 301.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=CCN2CCCC(C2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)/C=C/CN2CCC[C@@H](C2)[NH+]3CCCC3

InChI

InChI=1S/C19H28N2O/c1-22-19-10-8-17(9-11-19)6-4-12-20-13-5-7-18(16-20)21-14-2-3-15-21/h4,6,8-11,18H,2-3,5,7,12-16H2,1H3/p+1/b6-4+/t18-/m0/s1