4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]prop-1-enyl]-2-methoxy-phenol

Systemtic Name: 4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-piperazin-4-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Openeye Name: 4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]prop-1-enyl]-2-methoxy-phenol CAS Name: 4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-propan-2-yl-1-piperazin-4-iumyl]prop-1-enyl]-2-methoxyphenol IUPAC Name: 4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-propan-2-ylpiperazin-4-ium-1-yl]prop-1-enyl]-2-methoxyphenol Traditional Name: 4-[(E)-3-[(3S)-3-(2-hydroxyethyl)-4-isopropyl-piperazin-4-ium-1-yl]prop-1-enyl]-2-methoxy-phenol Formula: C19H31N2O3+ MolecularWeight: 335.46104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1CCO)CC=CC2=CC(=C(C=C2)O)OC

Isomeric SMILES

CC(C)[NH+]1CCN(C[C@@H]1CCO)C/C=C/C2=CC(=C(C=C2)O)OC

InChI

InChI=1S/C19H30N2O3/c1-15(2)21-11-10-20(14-17(21)8-12-22)9-4-5-16-6-7-18(23)19(13-16)24-3/h4-7,13,15,17,22-23H,8-12,14H2,1-3H3/p+1/b5-4+/t17-/m0/s1